SCHEMBL7966367

SCHEMBL7966367

CCCCCCC[C@H]1CC[C@H](COc2ccc(C=CC(=O)OC)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM1A O60341 2/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
RAB9A P51151 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ITGB3 P05106 1/20 0.39

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
SCHEMBL7966365 1.00 CA12 (0.43) CA12CA1CA2TYRCA7
SCHEMBL7966369 1.00 CA12 (0.43) CA12CA1CA2TYRCA7
SCHEMBL7969667 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL3355575 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL7967810 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL7967807 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL7966540 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL7966537 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL3360906 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10
SCHEMBL7969665 0.89 THRB (0.45) KDM1AHPGDABCG2PARP15PARP10

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-6277502-B1 ORGANOSILICON POLYMERS; LIQUID CRYSALS ROLIC AG (CH) 2001-08-21 US disclosed