SCHEMBL9351271

SCHEMBL9351271

CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SPHK2 Q9NRA0 7/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 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
SCHEMBL9351278 1.00 SPHK1 (0.49) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11405906 1.00 SPHK1 (0.49) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11415518 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11406446 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11418397 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11409215 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11406635 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11412025 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11423006 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2
SCHEMBL11407291 0.99 SPHK1 (0.51) SPHK1CYP2C9MAPTSMN1; SMN2SPHK2

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-0272580-B1 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same WOJSKOWA AKAD TECH (PL) 1994-08-17 — — EP disclosed
EP-0272558-A2 Process for glueing non-transparent carriers, and glueing systems for use therein Henkel Kommanditgesellschaft auf Aktien (DE) 1988-06-29 — — EP disclosed
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