SCHEMBL3240459

SCHEMBL3240459

O[CH]c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
RXRA P19793 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL87968 0.81 HDAC8 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28401453 0.81 HDAC8 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10706694 0.79 CHAT (0.62) HDAC8HDAC6MTNR1AMTNR1BRXRA
SCHEMBL2494362 0.79 TSHR (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL816177 0.79 TSHR (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10706687 0.79 CHAT (0.62) HDAC8HDAC6MTNR1AMTNR1BRXRA
SCHEMBL10706700 0.79 CHAT (0.62) HDAC8HDAC6MTNR1AMTNR1BRXRA
SCHEMBL10437275 0.77 CHAT (0.60) HDAC8HDAC6MTNR1AMTNR1BRXRA
SCHEMBL10437274 0.77 CHAT (0.60) HDAC8HDAC6MTNR1AMTNR1BRXRA
SCHEMBL14912 0.75 SIRT2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
US-6420397-B1 Heteroaryl protease inhibitors and diagnostic imaging agents 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1194428-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-10 EP claimed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO claimed
CN-118325004-A Phenolic hydroxyl group-containing resin, photosensitive resin composition, curable composition, and resist film DIC株式会社 2024-07-12 CN disclosed
CN-118011733-A Positive photosensitive resin composition, resist film, resist underlayer film, and resist permanent film DIC株式会社 2024-05-10 CN disclosed
CN-117487097-A Surface-modified carbon black, carbon black dispersion, and black resist composition DIC株式会社 2024-02-02 CN disclosed
CN-117321109-A Phenolic hydroxyl group-containing resin DIC株式会社 2023-12-29 CN disclosed
WO-2023233864-A1 OPTICAL FILM, COMPOSITION FOR COLORED LAYER FORMATION, DIPYRROMETHENE COBALT COMPLEX, AND DISPLAY DEVICE 凸版印刷株式会社 2023-12-07 WO disclosed
WO-2023132318-A1 OPTICAL FILM, COMPOSITION FOR COLORED LAYER FORMATION, DIPYRROMETHENE COBALT COMPLEX, AND DISPLAY DEVICE 凸版印刷株式会社 2023-07-13 WO disclosed
CN-116023607-A Phenolic hydroxyl group-containing resin DIC株式会社 2023-04-28 CN disclosed
CN-107108418-B Phenolic hydroxyl group-containing compound, composition containing same, and cured film thereof DIC株式会社 2021-04-27 CN disclosed
EP-0881636-A1 Optical recording medium Mitsui Chemicals, Inc. (JP) 1998-12-02 EP disclosed
US-5817751-A IMMOBILIZATION AN AMINOACID ON SUPPORT; CYCLIZATION AFFYMAX TECHNOLOGIES N.V. (GB) 1998-10-06 US disclosed
CN-1175058-A Optical recording medium MITSUI TOATSU CHEMICALS (JP) 1998-03-04 CN disclosed
EP-0822544-A1 Optical recording medium MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-02-04 EP disclosed
EP-0755052-A2 Optical recording medium MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-22 EP disclosed
WO-1996000391-A1 METHODS FOR THE SYNTHESIS OF DIKETOPIPERAZINES AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed
US-4472300-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 US disclosed