SCHEMBL7912597

SCHEMBL7912597

COCC[C@H]1CC[C@H](c2ccc(CCc3ccc([C@H]4CC[C@H](CCCCCF)CC4)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.40
▸ SPHK2 Q9NRA0 7/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL7912602 1.00 SPHK1 (0.40) SPHK1SPHK2ESR2ALDH1A1LMNA
SCHEMBL7910818 0.88 SPHK1 (0.37) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7910815 0.88 SPHK1 (0.37) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7910788 0.85 SPHK1 (0.52) SPHK1SPHK2ESR2ALDH1A1LMNA
SCHEMBL7910792 0.85 SPHK1 (0.52) SPHK1SPHK2ESR2ALDH1A1LMNA
SCHEMBL7902456 0.85 SPHK1 (0.56) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7902459 0.85 SPHK1 (0.56) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7912595 0.84 SPHK1 (0.38) SPHK1SPHK2ESR2CYP2C9
SCHEMBL12926318 0.83 ESR2 (0.42) SPHK1SPHK2ESR2ALDH1A1LMNA
SCHEMBL7910146 0.82 SPHK1 (0.43) SPHK1SPHK2ESR2ALDH1A1LMNA

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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 — — US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 — — EP disclosed
Send feedback