SCHEMBL10030798

SCHEMBL10030798

COC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.35
▸ TP53 P04637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL18251847 1.00 CYP19A1 (0.35) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL13038158 0.95 CYP19A1 (0.37) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL15692150 0.95 CYP19A1 (0.37) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL13074339 0.93 CYP19A1 (0.38) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL170528 0.93 CYP19A1 (0.38) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL14274401 0.93 CYP19A1 (0.38) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL20152491 0.93 CYP19A1 (0.38) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL20152488 0.93 CYP19A1 (0.38) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL20152489 0.93 CYP19A1 (0.38) CYP19A1TP53MEN1KMT2ANPC1
SCHEMBL13321806 0.90 TP53 (0.41) CYP19A1TP53ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 — — US disclosed
EP-2239310-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-06-27 — — EP disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 — — EP disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 — — WO disclosed
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