SCHEMBL10911775

SCHEMBL10911775

CCCCOC(=O)c1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.59
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ ESR1 P03372 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ RNASEL Q05823 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 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

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
SCHEMBL10911768 1.00 CYP2C9 (0.59) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10911781 1.00 CYP2C9 (0.59) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10908055 0.96 CYP2C9 (0.57) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10908057 0.96 CYP2C9 (0.57) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10908047 0.96 CYP2C9 (0.57) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10908037 0.95 CYP2C9 (0.56) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10910252 0.95 CYP2C9 (0.56) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10910248 0.95 CYP2C9 (0.56) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10909989 0.95 CYP2C9 (0.56) CYP2C9LMNAALDH1A1MAPTESR1
SCHEMBL10909838 0.95 CYP2C9 (0.56) CYP2C9LMNAALDH1A1MAPTESR1

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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