SCHEMBL9075126

SCHEMBL9075126

Cc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4F)cc3)(c3ccc(Oc4ccc(N)cc4F)cc3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 2/20 0.34
MAPK14 Q16539 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9073459 0.93 TEAD4 (0.39) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL9073306 0.89 NCOA1 (0.35) ALDH1A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL9074468 0.89 TEAD4 (0.38) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL9075013 0.88 OPRK1 (0.35) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL9073818 0.86 S1PR1 (0.35) ALDH1A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL9075446 0.86 SLC6A4 (0.35) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL9076142 0.85 S1PR1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL9280585 0.84 TEAD4 (0.53) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL9076164 0.84 TEAD4 (0.41) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL9075385 0.84 SPHK1 (0.42)

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