SCHEMBL10910992

SCHEMBL10910992

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ ESR1 P03372 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NR1H2 P55055 1/20 0.52
▸ RNASEL Q05823 1/20 0.52
▸ CYP2C9 P11712 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ HPGD P15428 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ STS P08842 7/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL10910987 1.00 LMNA (0.52) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10910978 1.00 LMNA (0.52) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10910686 0.96 ALDH1A1 (0.51) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10910675 0.96 ALDH1A1 (0.51) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10910681 0.96 ALDH1A1 (0.51) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10911734 0.95 ALDH1A1 (0.53) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10911721 0.95 ALDH1A1 (0.53) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10911728 0.95 ALDH1A1 (0.53) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL10911716 0.92 ALDH1A1 (0.50) LMNACYP1A2ESR1TSHRCYP2C19
SCHEMBL11039080 0.92 ALDH1A1 (0.55) LMNACYP1A2ESR1TSHRCYP2C19

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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