SCHEMBL14367103

SCHEMBL14367103

COc1ccc(C(=O)C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
THRB P10828 1/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
VNN1 O95497 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
CNR1 P21554 1/20 0.46
CASP1 P29466 1/20 0.46
CNR2 P34972 1/20 0.46
CASP7 P55210 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44

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
SCHEMBL14367095 0.84 ALDH1A1 (0.51) CES2CES1MAPTALDH1A1CYP11B1
SCHEMBL12362581 0.84 CYP1A2 (0.58) THRBMAPTALDH1A1PARP15PARP10
SCHEMBL8074450 0.84 CYP1A2 (0.58) THRBMAPTALDH1A1PARP15PARP10
SCHEMBL8074037 0.84 CYP1A2 (0.58) THRBMAPTALDH1A1PARP15PARP10
SCHEMBL14393170 0.82 RAB9A (0.48) MAPTALDH1A1CYP11B1CYP11B2PARP15
SCHEMBL3469060 0.82 VNN1 (0.63) CES2CES1MAPTALDH1A1PARP15
SCHEMBL12736320 0.80 THRB (0.61) THRBMAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5881227 0.80 THRB (0.61) THRBMAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28991338 0.80 CA1 (0.52) MAPTALDH1A1CYP11B1CYP11B2PARP15
SCHEMBL14367097 0.79 PARP15 (0.53) MAPTALDH1A1PARP15PARP10PARP2

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-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed