SCHEMBL7969665

SCHEMBL7969665

CCCCCC[C@H]1CC[C@@H](COc2ccc(/C=C/C(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7209499 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL7969667 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL3360915 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL3360906 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL7967810 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL3355575 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL7967807 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL7966537 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL7966540 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A
SCHEMBL3358076 1.00 THRB (0.45) THRBATMABCG2NPC1RAB9A

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