SCHEMBL9073901

SCHEMBL9073901

CCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4C)cc3)(c3ccc(Oc4ccc(N)cc4C)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 1/20 0.32
CYP19A1 P11511 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL9075444 0.94 SPHK1 (0.39) SPHK1
SCHEMBL9075278 0.94 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3SPHK1ALDH1A1
SCHEMBL9075637 0.93 SPHK1 (0.43) SPHK1
SCHEMBL9075394 0.92 SPHK1 (0.45) SPHK1
SCHEMBL9075383 0.92 SPHK1 (0.45) SPHK1
SCHEMBL9075285 0.92 SPHK1 (0.45) SPHK1
SCHEMBL9074332 0.92 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3RAB9AMCHR1
SCHEMBL9075289 0.89 DRD2 (0.37) SLC6A2SLC6A4SLC6A3PPARGPPARA
SCHEMBL9073818 0.89 S1PR1 (0.35) SLC6A2SLC6A4SLC6A3SPHK1ALDH1A1
SCHEMBL9075449 0.88 SPHK1 (0.39) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545444-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1996-08-13 US disclosed
US-5430195-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-07-04 US disclosed
US-5414126-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-05-09 US disclosed