SCHEMBL9004485

SCHEMBL9004485

C=CCCc1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(CCC=C)cc4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.36
HRH3 Q9Y5N1 3/20 0.34
MAOB P27338 2/20 0.31
CA1 P00915 2/20 0.31
GPR52 Q9Y2T5 1/20 0.31
CA12 O43570 1/20 0.31
MET P08581 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALOX5 P09917 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
FFAR1 O14842 1/20 0.31
MGLL Q99685 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
SCHEMBL9004481 1.00 HDAC2 (0.36) HDAC2HRH3MAOBCA1GPR52
SCHEMBL9004496 0.94 ALDH1A1 (0.33) CA1CA12METCA4CA6
SCHEMBL9004494 0.94 ALDH1A1 (0.33) CA1CA12METCA4CA6
SCHEMBL8854472 0.89 HRH3 (0.41) HRH3MAOBGPR52FFAR1
SCHEMBL4450110 0.88 ALDH1A1 (0.46) HRH3MAOBGPR52HDAC8FFAR1
SCHEMBL9004469 0.82 GFER (0.36)
SCHEMBL27389281 0.82 CA12 (0.30) CA1CA12METCA4CA6
SCHEMBL8857437 0.81 ALDH1A1 (0.45) HRH3MAOBALOX5PTGS1PTGS2
SCHEMBL10639413 0.81 FFAR1 (0.48) HDAC2GPR52PTGS1FFAR1
SCHEMBL346414 0.80 ALDH1A1 (0.52) CA1HDAC8

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
EP-0442097-B1 Poly(arylenevinylene siloxanes) CONSORTIUM ELEKTROCHEM IND (DE) 1996-10-09 EP disclosed
US-5185419-A POLY(ARYLENEVINYLENESILOXANES) COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE GMBH (DE) 1993-02-09 US disclosed
EP-0442097-A2 Poly(arylenevinylene siloxanes) Consortium für elektrochemische Industrie GmbH (DE) 1991-08-21 EP disclosed