SCHEMBL9754479

SCHEMBL9754479

Cc1cc(C)c(-c2cccc(O)c2C=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ELANE P08246 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
BRCA1 P38398 1/20 0.44
ERN1 O75460 7/20 0.39
LCK P06239 1/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
CTSG P08311 1/20 0.37

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
SCHEMBL7094219 0.83 ELANE (0.42) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL9754458 0.80 PDK2 (0.35) ALDH1A1ERN1CYP1A2
SCHEMBL3967211 0.77 ATM (0.42) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL9743119 0.77 TRPA1 (0.50) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL8342105 0.77 MAPT (0.41) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL11785835 0.76 PDK2 (0.45) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL5335160 0.76 MEN1 (0.40) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL8342262 0.75 TRPA1 (0.43) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL412923 0.74 TRPA1 (0.50) MAPTALDH1A1CYP3A4TDP1MEN1
SCHEMBL29485033 0.74 TRPA1 (0.50) MAPTALDH1A1CYP3A4TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1054590-A The benzoic acid herbicides that 6-aryl-2-replaces FMC CORP (US) 1991-09-18 CN disclosed
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed