SCHEMBL11767902

SCHEMBL11767902

CC(=O)OC(CCBr)(CC(Cl)(Cl)Cl)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.38
CETP P11597 1/20 0.35
MAOB P27338 4/20 0.32
KIF11 P52732 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MAOA P21397 1/20 0.30
CCR2 P41597 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25564019 0.77 KCNN4 (0.46) KCNN4CETPMAOBKIF11EDNRB
SCHEMBL11767898 0.76 KCNN4 (0.38) KCNN4CETPMAOBEDNRBEDNRA
SCHEMBL11760464 0.73 CYP2C19 (0.38) KCNN4KIF11ALDH1A1KMT2A
SCHEMBL25563997 0.72 KCNN4 (0.46) KCNN4CETPMAOBEDNRBEDNRA
SCHEMBL25563995 0.70 KCNN4 (0.50) KCNN4CETPMAOBEDNRBEDNRA
SCHEMBL11767610 0.68 RXRA (0.39) ALDH1A1KMT2A
SCHEMBL11763176 0.68 KCNN4 (0.36) KCNN4MAOBKIF11MAOA
SCHEMBL11760374 0.67
SCHEMBL11767931 0.64 CES2 (0.36) ALDH1A1
SCHEMBL11057962 0.64 CYP2C19 (0.46) KCNN4KIF11HDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4050922-A Substituted benzene-methanol compounds THE DOW CHEMICAL COMPANY (US) 1977-09-27 US disclosed
US-3972913-A Substituted benzenemethanol compounds THE DOW CHEMICAL COMPANY (US) 1976-08-03 US disclosed