SCHEMBL10910795

SCHEMBL10910795

CCCCOC(=O)c1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](CCCC)CC3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ ESR1 P03372 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ RNASEL Q05823 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ HPGD P15428 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ STS P08842 7/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45

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
SCHEMBL10910790 1.00 CYP2C9 (0.52) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10910780 1.00 CYP2C9 (0.52) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10909887 0.96 CYP2C9 (0.51) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10909727 0.96 CYP2C9 (0.51) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10909878 0.96 CYP2C9 (0.51) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10909735 0.96 CYP2C9 (0.51) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10909731 0.96 CYP2C9 (0.51) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10909885 0.96 CYP2C9 (0.51) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10912047 0.96 CYP2C9 (0.53) CYP2C9LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL10912032 0.96 CYP2C9 (0.53) CYP2C9LMNATSHRSMN1; SMN2CYP1A2

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-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 — — US disclosed
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