SCHEMBL6433950

SCHEMBL6433950

C=CCOC(=O)C1=CC=CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
RHOA P61586 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SNCA P37840 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 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
SCHEMBL277725 0.82 TSHR (0.34) CYP3A4ALDH1A1TSHRTP53MAPT
SCHEMBL6536699 0.81 TSHR (0.31) TSHRLMNA
SCHEMBL11206256 0.80 TDP1 (0.39) CYP3A4ALDH1A1TSHRKMT2ATP53
SCHEMBL5153493 0.80 TSHR (0.40) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL29007199 0.79 CYP3A4 (0.51) CYP3A4RHOAALDH1A1HSD17B10TSHR
SCHEMBL3662482 0.78 ALDH1A1 (0.43) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL3911174 0.76 CRHBP (0.31)
SCHEMBL5690811 0.75 TSHR (0.46) CYP3A4ALDH1A1HSD17B10TSHRTP53
SCHEMBL7767135 0.74 CRHBP (0.42) ALDH1A1HSD17B10TSHRNPSR1KDM4E
SCHEMBL9084 0.74 CRHBP (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7080957-A None JP disclosed
EP-3996657-A1 DRY COSMETIC AND/OR SKIN CARE COMPOSITION Omya International AG (CH) 2022-05-18 EP disclosed
WO-2021004942-A1 DRY COSMETIC AND/OR SKIN CARE COMPOSITION OMYA INTERNATIONAL AG (CH) 2021-01-14 WO disclosed
CN-1976989-B Gel type water absorbent NISSHIN OILLIO GROUP LTD 2010-05-05 CN disclosed
CN-1976989-A Gel type water absorbent NISSHIN OILLIO GROUP LTD (JP) 2007-06-06 CN disclosed
US-6849096-B2 Hair dye and hair-dyeing methods using the same REAL CHEMICAL CO., LTD. (JP) 2005-02-01 US disclosed
US-20040055096-A1 New hair dye and hair-dyeing methods using the same REAL CHEMICAL CO., LTD. (JP) 2004-03-25 US disclosed
US-6656229-B1 An indican which is derived from an indigo plant and has been heat treated to inactivate the natural beta-glucosidase contained therein and a formulation composed of a beta-glucosidase enzyme REAL CHEMICAL CO., LTD. (JP) 2003-12-02 US disclosed
EP-0567018-B1 Chemical composition for indicating lifetime of a product SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
JP-H0780957-A ANTIBACTERIAL PROCESSING FOR SPECTACLE FRAME DAIWA KAGAKU KOGYO KK 1995-03-28 JP disclosed
EP-0567018-A2 Chemical composition for indicating lifetime of a product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-10-27 EP disclosed