SCHEMBL8771725

SCHEMBL8771725

CCCCCCC(C)Cc1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CSNK1E P49674 1/20 0.44
MAPT P10636 3/20 0.40
HTR2A P28223 1/20 0.40
SPHK1 Q9NYA1 1/20 0.37
BDKRB2 P30411 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL8771558 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8771596 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8771588 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8771698 0.93 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL20226533 0.88 MAPT (0.46) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8099887 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8093770 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8086989 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8093854 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CSNK1E
SCHEMBL8095843 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CSNK1E

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
EP-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 EP disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 WO disclosed