SCHEMBL7910947

SCHEMBL7910947

CCc1ccc(CCc2ccc(-c3ccc(C4CCC(CCCCF)CC4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
CYP2C9 P11712 1/20 0.37
SPHK2 Q9NRA0 7/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7910943 1.00 SPHK1 (0.41) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7910146 0.99 SPHK1 (0.43) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7910141 0.99 SPHK1 (0.43) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7912777 0.92 CYP2C9 (0.40) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7912596 0.91 SPHK1 (0.45) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7910044 0.91 CYP2C9 (0.40) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7910049 0.91 CYP2C9 (0.40) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7910053 0.91 CYP2C9 (0.40) SPHK1CYP2C9SPHK2ESR2ALDH1A1
SCHEMBL7910738 0.90 SPHK1 (0.51) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL7910742 0.90 SPHK1 (0.51) SPHK1CYP2C9SPHK2ALDH1A1LMNA

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