Sugi Predict

Sugi Predict / Compounds / SCHEMBL9075449

SCHEMBL9075449

SCHEMBL9075449

CCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4)c(C)c3)(c3ccc(Oc4ccc(N)cc4)c(C)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 11/20 0.39
▸ SPHK2 Q9NRA0 7/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ SKP2 Q13309 1/20 0.33

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
SCHEMBL9076144 0.97 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL9074810 0.96 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL9075875 0.96 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL9074868 0.96 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL9075444 0.94 SPHK1 (0.39) SPHK1SPHK2S1PR1S1PR3SKP2
SCHEMBL9075278 0.94 SLC6A2 (0.34) SPHK1
SCHEMBL9075637 0.91 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL9075394 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL9075383 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL9075285 0.90 SPHK1 (0.45) SPHK1SPHK2

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