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SCHEMBL9810455

SCHEMBL9810455

CCCCCOC(=O)C1=CCC(c2ccc(-c3ccc(OCCCCC)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ P2RY14 Q15391 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9810569 1.00 RARB (0.45) RARBRAB9ALMNAS1PR3P2RY14
SCHEMBL9810415 0.99 RARB (0.47) RARBRAB9ALMNAS1PR3TP53
SCHEMBL9810294 0.99 RARB (0.47) RARBRAB9ALMNAS1PR3TP53
SCHEMBL9810248 0.97 RARB (0.44) RARBRAB9ALMNAS1PR3P2RY14
SCHEMBL9810332 0.96 RARB (0.45) RARBRAB9ALMNAS1PR3P2RY14
SCHEMBL9810542 0.91 RARB (0.45) RARBRAB9ALMNAS1PR3P2RY14
SCHEMBL9810395 0.89 ALDH1A1 (0.41) RAB9ALMNATP53TSHR
SCHEMBL9810303 0.89 RARB (0.43) RARBRAB9ALMNAS1PR3P2RY14
SCHEMBL9810445 0.88 RAB9A (0.39) RARBRAB9ALMNAS1PR3P2RY14
SCHEMBL9810536 0.88 ALDH1A1 (0.41) RAB9ALMNATP53TSHR

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-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 — — US disclosed