SCHEMBL8917873

SCHEMBL8917873

CSc1cccc(C(=O)c2ccccc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 2/20 0.48
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
KMT2A Q03164 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42

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
SCHEMBL8578095 0.85 AKR1C3 (0.55) MAPTAKR1C3GAAALDH1A1KMT2A
SCHEMBL31005115 0.84 AKR1C3 (0.50) MAPTAKR1C3GAAALDH1A1KMT2A
SCHEMBL26110213 0.83 AKR1C3 (0.48) MAPTAKR1C3GAAALDH1A1KMT2A
SCHEMBL11755306 0.83 AKR1C3 (0.48) MAPTAKR1C3GAAALDH1A1KMT2A
SCHEMBL2960122 0.82 ALDH1A1 (0.57) KDM4EALOX15HSD17B10GAAALDH1A1
SCHEMBL11754962 0.81 AKR1C3 (0.47) MAPTHSD17B10AKR1C3GAAALDH1A1
SCHEMBL11758277 0.81 AKR1C3 (0.47) MAPTAKR1C3GAAALDH1A1KMT2A
SCHEMBL11761776 0.81 AKR1C3 (0.56) MAPTHSD17B10AKR1C3GAAALDH1A1
SCHEMBL11760101 0.78 AKR1C3 (0.43) MAPTAKR1C3GAAALDH1A1KMT2A
SCHEMBL11756096 0.78 AKR1C3 (0.43) MAPTMAPK1AKR1C3GAAALDH1A1

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-5684131-A Substituted benzhydrylamines as handles for solid phase peptide synthesis LEBL MICHAL (US) 1997-11-04 US disclosed