SCHEMBL9074929

SCHEMBL9074929

CCCCCc1cccc(C2CCC(c3ccc(Oc4ccc(N)cc4)cc3)(c3ccc(Oc4ccc(N)cc4)cc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.36
BACE1 P56817 1/20 0.36
CYP19A1 P11511 4/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
S1PR3 Q99500 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2A P28223 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL9073174 0.99 SPHK1 (0.38) SPHK1BACE1CYP19A1LPLLIPG
SCHEMBL9075832 0.99 SPHK1 (0.38) SPHK1BACE1CYP19A1LPLLIPG
SCHEMBL9074254 0.99 SPHK1 (0.38) SPHK1BACE1CYP19A1LPLLIPG
SCHEMBL9076134 0.97 DRD2 (0.35) SPHK1BACE1CYP19A1S1PR3DRD2
SCHEMBL9074644 0.93 DRD2 (0.41) BACE1CYP19A1DRD2DRD1DRD4
SCHEMBL9074180 0.90 BACE1 (0.33) SPHK1BACE1S1PR3
SCHEMBL9073242 0.89 SPHK1 (0.34) SPHK1S1PR3HTR2A
SCHEMBL9075380 0.89 SPHK1 (0.34) SPHK1S1PR3HTR2A
SCHEMBL9075458 0.89 SPHK1 (0.34) SPHK1S1PR3HTR2A
SCHEMBL9073398 0.88 ALDH1A1 (0.37) BACE1CYP19A1DRD2

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