SCHEMBL9615365

SCHEMBL9615365

Cc1ccccc1C(C)c1ccc(C)c(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
LDHA P00338 4/20 0.40
LDHB P07195 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACP3 P15309 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX3 P56373 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9615367 0.89 HPGD (0.41) CYP3A4CYP2C9KMT2ALDHALDHB
SCHEMBL1129856 0.86 TYR (0.46) CYP3A4CYP2C9KMT2ALDHALDHB
SCHEMBL9615352 0.85 LDHA (0.50) LDHALDHBL3MBTL1P2RX3
SCHEMBL9497285 0.84 TYR (0.45) CYP3A4CYP2C9KMT2ALDHALDHB
Orthothymotinic Acid SCHEMBL503619 0.80 LDHA (0.46) CYP3A4KMT2ALDHALDHBHPGD
SCHEMBL9615364 0.78 LDHA (0.40) CYP3A4LDHALDHBALDH1A1MAPT
SCHEMBL9325617 0.77 LDHA (0.43) LDHALDHBHPGDKDM4EALDH1A1
SCHEMBL146510 0.73 ESR1 (0.56) CYP3A4CYP2C9ALDH1A1ACP3TDP1
Zinc Ion SCHEMBL9497278 0.73 TYR (0.43) CYP3A4CYP2C9KMT2AHPGDACP3
SCHEMBL28346216 0.73 KDM4E (0.44) CYP3A4CYP2C9KMT2ALDHAHPGD

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-5128309-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1992-07-07 US disclosed