SCHEMBL9004469

SCHEMBL9004469

C=CCCc1ccc(CCC=C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
XDH P47989 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 4/20 0.35
HPGD P15428 2/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH2 P05091 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL6285109 0.97 GFER (0.41) GFERESR1ESR2ALDH1A1TSHR
SCHEMBL8854472 0.92 HRH3 (0.41) GFERESR1ESR2ALDH1A1TSHR
SCHEMBL11477273 0.87 TSHR (0.40) ALDH1A1TSHRXDHTP53CYP3A4
SCHEMBL9004496 0.87 ALDH1A1 (0.33) ALDH1A1XDHTHRB
SCHEMBL5543474 0.87 THRB (0.34) ALDH1A1TSHRXDHTP53CYP3A4
SCHEMBL1149698 0.87 TAAR1 (0.50) ALDH1A1TSHRTP53SMN1; SMN2THRB
SCHEMBL16682341 0.87 GFER (0.59) GFERALDH1A1TSHRCYP3A4MEN1
SCHEMBL9004494 0.87 ALDH1A1 (0.33) ALDH1A1XDHTHRB
SCHEMBL4902643 0.87 TAAR1 (0.50) ALOX15
SCHEMBL109430 0.87 ESR1 (0.59) ESR1ESR2ALDH1A1TSHRTP53

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 5 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
US-4536560-A FILMS, FIBEWRS, COATINGS STANDARD OIL COMPANY (INDIANA) (US) 1985-08-20 US disclosed
US-4490545-A POLYIMIDES; FILMS; COATINGS; FIBERS; MOLDING MATERIALS STANDARD OIL COMPANY (INDIANA) (US) 1984-12-25 US disclosed