SCHEMBL7706128

SCHEMBL7706128

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 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 0.31
CA2 P00918 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
SCHEMBL7706126 1.00 RAPGEF4 (0.35) RAPGEF4LMNAALDH1A1KDM4EGAA
SCHEMBL10604733 0.74 RAPGEF4 (0.38) RAPGEF4LMNAALDH1A1KDM4EGAA
SCHEMBL7705519 0.72 RAPGEF4 (0.36) RAPGEF4LMNAALDH1A1KDM4EGAA
SCHEMBL246394 0.72 TAS1R3 (0.41) LMNAALDH1A1KDM4EMAPTTAS1R3
SCHEMBL2092416 0.72 KDM4E (0.36) RAPGEF4LMNAALDH1A1KDM4EGAA
Phosphine SCHEMBL27814958 0.70 TAS1R3 (0.40) LMNAALDH1A1KDM4EMAPTTAS1R3
SCHEMBL28612978 0.70 TAS1R3 (0.40) LMNAALDH1A1KDM4EMAPTTAS1R3
SCHEMBL2848308 0.69 RAPGEF4 (0.43) RAPGEF4LMNAALDH1A1KDM4EGAA
SCHEMBL918994 0.67 RAPGEF4 (0.41) RAPGEF4LMNAALDH1A1KDM4EGAA
SCHEMBL2722808 0.67 RAPGEF4 (0.41) RAPGEF4LMNAALDH1A1KDM4EGAA

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 4 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
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