Sugi Predict

Sugi Predict / Compounds / SCHEMBL9450829

SCHEMBL9450829

SCHEMBL9450829

CCc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1.Cc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.40
▸ GPR84 Q9NQS5 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ S1PR5 Q9H228 2/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ EP300 Q09472 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL8962736 0.95 GPR84 (0.36) MAOBGPR84MAOAS1PR1S1PR5
SCHEMBL8963277 0.95 MAOB (0.44) MAOBGPR84MAOAS1PR1S1PR5
SCHEMBL8962731 0.95 GPR84 (0.36) MAOBGPR84MAOAS1PR1S1PR5
SCHEMBL8963269 0.95 MAOB (0.44) MAOBGPR84MAOAS1PR1S1PR5
SCHEMBL8963138 0.87 MAOB (0.44) MAOBGPR84MAOAS1PR1S1PR5
SCHEMBL8963130 0.87 MAOB (0.44) MAOBGPR84MAOAS1PR1S1PR5
SCHEMBL8963373 0.82 MAOB (0.45) MAOBGPR84MAOA
SCHEMBL8963369 0.82 MAOB (0.45) MAOBGPR84MAOA
SCHEMBL8963043 0.81 MAOB (0.44) MAOBGPR84
SCHEMBL8963039 0.81 MAOB (0.44) MAOBGPR84

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-0559860-A1 HALOVINYL-DERIVATIVES. HOFFMANN LA ROCHE (CH) 1993-09-15 — — EP disclosed
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 — — WO disclosed