SCHEMBL11575609

SCHEMBL11575609

Cc1ccc2ccccc2c1C([O])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP2A6 P11509 3/20 0.52
CYP1A2 P05177 3/20 0.52
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
ALDH1A1 P00352 4/20 0.45
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
NCEH1 Q6PIU2 2/20 0.41

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
SCHEMBL230034 0.86 TSHR (0.54) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL29626829 0.86 TSHR (0.54) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL4835012 0.84 NCEH1 (0.53) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL224932 0.84 HPGD (0.59) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6917031 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
Ammonia Solution, Strong SCHEMBL7720483 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6916761 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6907789 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6915993 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6917579 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101464-A Process for preparing foamed solids using two or more azo compounds PENNWALT CORPORATION (US) 1978-07-18 US disclosed
US-4086224-A Reduction process for making azo compound PENNWALT CORPORATION (US) 1978-04-25 US disclosed
US-4069377-A Polymerization of ethylenically unsaturated monomers employing secondary-aliphatic α-substituted azoalkanes PENNWALT CORPORATION 1978-01-17 US disclosed
US-4048423-A Process for polymerizing unsaturated monomers and unsaturated polyester resins employing unsymmetrical tertiary-aliphatic azoalkanes PENNWALT CORPORATION (US) 1977-09-13 US disclosed
US-4029615-A AZO COMPOUNDS PENNWALT CORPORATION (US) 1977-06-14 US disclosed
US-4025502-A POLYMERIZATION CATALYSTS, CURING AGENTS PENNWALT CORPORATION (US) 1977-05-24 US disclosed
US-4009157-A POLYESTER FOAMING AGENTS, FREE RADICAL CATALYSTS PENNWALT CORPORATION (US) 1977-02-22 US disclosed
US-4007165-A VINYL POLYMERIZATION INITIATORS POLYESTER CURING AGENTS PENNWALT CORPORATION (US) 1977-02-08 US disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 US disclosed