SCHEMBL10397458

SCHEMBL10397458

COC(=O)c1ccc(CCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
ALDH1A1 P00352 3/20 0.61
CYP19A1 P11511 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CYP4A11 Q02928 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
CYP4F2 P78329 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL27182697 0.88 CYP1A2 (0.59) MAPTALDH1A1CYP19A1KMT2AMEN1
SCHEMBL30873057 0.88 CYP1A2 (0.59) MAPTALDH1A1CYP19A1KMT2AMEN1
SCHEMBL28446243 0.87 CA2 (0.65) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9198420 0.86 MAPT (0.69) MAPTALDH1A1CYP19A1KMT2AMEN1
SCHEMBL9826497 0.85 CYP19A1 (0.65) MAPTALDH1A1CYP19A1CYP1A2CYP3A4
SCHEMBL10397082 0.85 CNR2 (0.56) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL70185 0.84 CYP4A11 (0.75) MAPTALDH1A1KMT2AMEN1CYP4A11
SCHEMBL10335393 0.82 CYP19A1 (0.81) MAPTALDH1A1CYP19A1KMT2ACYP1A2
Veratric Acid Methyl Ester SCHEMBL29573244 0.81 MAPT (0.86) MAPTALDH1A1KMT2AMEN1CYP1A2
Veratric Acid Methyl Ester SCHEMBL2050732 0.81 MAPT (0.86) MAPTALDH1A1KMT2AMEN1CYP1A2

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-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 US disclosed