SCHEMBL3275801

SCHEMBL3275801

C=C(CCC)C(=O)OO.c1ccc2c(c1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX4 Q99571 3/20 0.37
P2RX1 P51575 1/20 0.37
USP2 O75604 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 3/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MTNR1B P49286 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTNR1A P48039 1/20 0.34
APAF1 O14727 1/20 0.33
LMNA P02545 1/20 0.33

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
Benzene SCHEMBL977596 0.82 HDAC3 (0.39) KMT2AMEN1TSHRSMN1; SMN2ALOX5
SCHEMBL61201 0.80
Ethylene SCHEMBL9715783 0.78 ALDH1A1 (0.39) TSHRCES2CES1ALDH1A1
SCHEMBL5709260 0.75 ALDH1A1 (0.41) TSHRCES2CES1ALDH1A1
SCHEMBL7028156 0.73 CES1 (0.41) KMT2AMEN1TSHRNPSR1MAPT
Phosphoric Acid SCHEMBL15156826 0.73 ALDH1A1 (0.34) TSHRCES2CES1ALDH1A1
SCHEMBL4923066 0.73 CA1 (0.39) KMT2ATSHRSMN1; SMN2ALOX5MAPT
SCHEMBL449723 0.72 CES2 (0.40) KMT2AMEN1SMN1; SMN2NPSR1ALOX5
SCHEMBL1949303 0.72 GAA (0.43) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL28008688 0.72 THRA (0.44) KMT2AMEN1TSHRNPSR1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023112439-A1 MOLDING MATERIAL, ACOUSTIC MATCHING MEMBER, AND ULTRASONIC SENSOR 株式会社レゾナック 2023-06-22 WO disclosed
US-7695791-B2 Optical recording medium TDK CORPORATION (JP) 2010-04-13 US disclosed
US-20060046014-A1 Optical recording medium TDK CORPORATION (JP) 2006-03-02 US disclosed
US-5185234-A Photopolymerizable blend of 5-50% of an acrylated rubber/urethane polymer, both a random and block Butadiene-Styrene Copolymer and an unsaturated compound; hardness; image sharpness HAYAKAWA RUBBER CO., LTD. (JP) 1993-02-09 US disclosed
EP-0470834-A2 Photosensitive flexographic printing plate composition HAYAKAWA RUBBER COMPANY LIMITED (JP) 1992-02-12 EP disclosed