SCHEMBL9004496

SCHEMBL9004496

C=CCCc1ccc(C=Cc2ccc(C=Cc3ccc(CCC=C)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
MET P08581 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP24A1 Q07973 2/20 0.32
SNCA P37840 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
TNNC1 P63316 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
SCHEMBL9004494 1.00 ALDH1A1 (0.33) ALDH1A1ALOX5PTGS1PTGS2CA12
SCHEMBL9004485 0.94 HDAC2 (0.36) ALOX5PTGS1PTGS2CA12CA1
SCHEMBL9004481 0.94 HDAC2 (0.36) ALOX5PTGS1PTGS2CA12CA1
SCHEMBL27389281 0.87 CA12 (0.30) CA12CA1METCA4CA6
SCHEMBL9004469 0.87 GFER (0.36) ALDH1A1THRBXDH
SCHEMBL346414 0.86 ALDH1A1 (0.52) ALDH1A1CA1THRBXDH
SCHEMBL6285109 0.85 GFER (0.41) ALDH1A1THRBXDH
SCHEMBL7789024 0.82 CYP2A6 (0.39) ALDH1A1THRB
SCHEMBL8153254 0.80 NPC1 (0.41) ALDH1A1CA12CA1CA7CA9
SCHEMBL7789018 0.80 NPC1 (0.41) ALDH1A1CA12CA1CA7CA9

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