SCHEMBL9506161

SCHEMBL9506161

CCC(Br)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
HKDC1 Q2TB90 1/20 0.38
TAAR1 Q96RJ0 3/20 0.35
MIF P14174 1/20 0.35
TRPA1 O75762 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
AOC3 Q16853 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL83018 0.87 LMNA (0.52) TDP1LMNAHKDC1TAAR1MIF
SCHEMBL30034760 0.87 LMNA (0.52) TDP1LMNAHKDC1TAAR1MIF
Hydrochloric Acid SCHEMBL28970405 0.85 LMNA (0.50) CYP3A4TDP1LMNAHKDC1TAAR1
SCHEMBL5006192 0.85 LMNA (0.50) TDP1LMNAHKDC1TAAR1MIF
SCHEMBL7919519 0.83 CYP3A4 (0.57) CYP3A4TDP1LMNAESR1ESR2
SCHEMBL9132814 0.77 CYP3A4 (0.55) CYP3A4TDP1LMNAESR1ESR2
SCHEMBL30692060 0.76 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2TAAR1
SCHEMBL22023051 0.75 CYP3A4 (0.67) CYP3A4TDP1LMNAESR1ESR2
SCHEMBL21084294 0.75 CYP3A4 (0.67) CYP3A4TDP1LMNAESR1ESR2
Bromoethane SCHEMBL43961 0.75 TDP1 (0.67) CYP3A4TDP1LMNAESR1ESR2

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
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed