SCHEMBL7705519

SCHEMBL7705519

C=C(Cl)c1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL7527264 0.78 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL12726829 0.76 KMT2A (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1109757 0.76 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL10957063 0.75
SCHEMBL246394 0.74 TAS1R3 (0.41) ALDH1A1KDM4ELMNAMAPTTAS1R3
SCHEMBL27303785 0.73 KDM4E (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28612978 0.72 TAS1R3 (0.40) ALDH1A1KDM4ELMNAMAPTTAS1R3
Phosphine SCHEMBL27814958 0.72 TAS1R3 (0.40) ALDH1A1KDM4ELMNAMAPTTAS1R3
SCHEMBL7706126 0.72 RAPGEF4 (0.35) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL7706128 0.72 RAPGEF4 (0.35) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US claimed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP claimed
WO-2020082914-A1 PREPARATION FOR ORGANIC PHOSPHORUS COMPOUND BY CONDENSATION OF MES-TRIMETHYL TRIHALOMETHYL BENZENE AND DIPHENYL PHOSPHINE OXIDE 深圳有为技术控股集团有限公司 2020-04-30 WO disclosed
EP-1648852-B1 METHOD FOR PRODUCING SUBSTITUTED ARYLCARBOXYLIC ACID CHLORIDES BASF SE (DE) 2009-06-17 EP disclosed
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US disclosed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP disclosed
US-4551502-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square platinous and equivalent organometallics HOWELL BOBBY A 1985-11-05 US disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed
US-4085165-A ISOCYANATE PREPOLYMER, VINYL COMPOUND, POLYAMINE OR POLYETHER CURING AGENT BRIDGESTONE TIRE CO., LTD. (JA) 1978-04-18 US disclosed
US-3953409-A ALFIN CATALYST, MOLECULAR WEIGHT REGULATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1976-04-27 US disclosed