SCHEMBL13038158

SCHEMBL13038158

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GRM1 Q13255 5/20 0.30
▸ F2 P00734 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 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
SCHEMBL15692150 1.00 CYP19A1 (0.37) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL10030798 0.95 CYP19A1 (0.35) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL18251847 0.95 CYP19A1 (0.35) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL20276012 0.92 CYP19A1 (0.41) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL20152476 0.92 CYP19A1 (0.41) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL20152474 0.92 CYP19A1 (0.41) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL15588225 0.92 EPHX2 (0.34) EPHX2MAPK8MAPK10MAPK14ADORA3
SCHEMBL12377040 0.92 CYP19A1 (0.41) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL20152479 0.92 CYP19A1 (0.41) CYP19A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL20275995 0.92 CYP19A1 (0.41) CYP19A1MEN1KMT2ANPC1ALDH1A1

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
US-7838089-B2 with biphenylcyclohexane-based skeleton; nematic at room temperature, improved response; paraelectric SONY CORPORATION (JP) 2010-11-23 — — US disclosed
US-20090168009-A1 with biphenylcyclohexane-based skeleton; nematic at room temperature, improved response; paraelectric SONY CORPORATION (JP) 2009-07-02 — — US disclosed
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