SCHEMBL8932201

SCHEMBL8932201

Cc1cccc(C)c1C(C(=O)O)c1c(C)cccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MYC P01106 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3151737 0.81 SRC (0.46) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7953281 0.77 HSP90AA1 (0.41) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27964847 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25660562 0.77 GRM1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4370114 0.74 ACP3 (0.48) L3MBTL1ALDH1A1HPGDMYCPOLB
SCHEMBL8536080 0.74 SRC (0.40) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19444465 0.73 CA2 (0.48) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6873558 0.73 CES2 (0.43) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10588711 0.71 CD44 (0.42) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL3060819 0.71 CXCL8 (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502025-A ANTIDOTES FOR HERBICIDES AND PLANT SAFTENING AGENTS MONSANTO COMPANY (US) 1996-03-26 US disclosed