SCHEMBL13567263

SCHEMBL13567263

Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CA12 O43570 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 3/20 0.44
VCP P55072 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL14586720 1.00 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL14586722 1.00 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL13582690 0.91 HTT (0.45) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL4851039 0.91 APP (0.50) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL6670459 0.91 APP (0.50) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL5530423 0.91 APP (0.50) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL13567210 0.91 APP (0.50) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL5525269 0.89 APP (0.52) CYP1A1CYP1A2CYP1B1CA12CA2
SCHEMBL14407362 0.87 HPGD (0.54) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL18077378 0.87 HPGD (0.54) CYP2D6CYP2C9HPGDALOX15CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635741-B2 Curable polyacetylenes used as dielectrics in making microelectronics such as integrated circuits DOW GLOBAL TECHNOLOGIES INC. 2009-12-22 US disclosed