SCHEMBL10554049

SCHEMBL10554049

CCCCOc1ccc(C2CCC(CCCC)CC2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ CRBN Q96SW2 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL10552489 0.97 RAB9A (0.46) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10557493 0.96 RAB9A (0.47) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10554787 0.94 RAB9A (0.48) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10554784 0.94 RAB9A (0.48) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10550286 0.93 RAB9A (0.45) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10554433 0.93 RAB9A (0.41) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10554147 0.90 RAB9A (0.49) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10550555 0.90 RAB9A (0.44) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10550549 0.90 RAB9A (0.44) RAB9ACRBNNPC1LMNAMAOA
SCHEMBL10550561 0.90 RAB9A (0.44) RAB9ACRBNNPC1LMNAMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215120-B1 CYCLOHEXANE DERIVATIVES MERCK PATENT GmbH (DE) 1989-08-23 — — EP disclosed
US-4846998-A LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-07-11 — — US disclosed
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