SCHEMBL7921022

SCHEMBL7921022

CCCCCCc1ccc(CC2CCC(c3ccc(Cc4ccc(N)cc4)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 14/20 0.61
SPHK2 Q9NRA0 7/20 0.51
HTR2A P28223 1/20 0.44
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL7751775 1.00 SPHK1 (0.61) SPHK1SPHK2HTR2AKDM4EMEN1
SCHEMBL7751716 1.00 SPHK1 (0.61) SPHK1SPHK2HTR2AKDM4EMEN1
SCHEMBL7752396 0.99 SPHK1 (0.59) SPHK1SPHK2HTR2A
SCHEMBL7747233 0.96 SPHK1 (0.66) SPHK1SPHK2HTR2AKDM4EMEN1
SCHEMBL7752406 0.96 SPHK1 (0.66) SPHK1SPHK2HTR2AKDM4EMEN1
SCHEMBL7751729 0.96 SPHK1 (0.66) SPHK1SPHK2HTR2AKDM4EMEN1
SCHEMBL7751734 0.95 SPHK1 (0.53) SPHK1SPHK2
SCHEMBL7747160 0.95 SPHK1 (0.64) SPHK1SPHK2HTR2AKDM4EMEN1
SCHEMBL7751759 0.95 SPHK1 (0.63) SPHK1SPHK2HTR2A
SCHEMBL7751740 0.91 SPHK1 (0.57) SPHK1SPHK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064329-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
EP-1042701-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-10-11 EP disclosed
WO-1999034252-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed
WO-1999033923-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed