SCHEMBL11812971

SCHEMBL11812971

CC(C)(CC(N)=O)C(Br)(Br)Br

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 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
SCHEMBL971070 0.78
SCHEMBL15269810 0.74 KDM4E (0.31) ALDH1A1KDM4EHMGCRCHRM1TBXA2R
SCHEMBL10437649 0.74 KDM4E (0.31) ALDH1A1KDM4EHMGCRCHRM1TBXA2R
SCHEMBL28122018 0.72
SCHEMBL19933104 0.72
SCHEMBL22793232 0.72 LMNA (0.33) KDM4ELMNAALOX15BLMPMP22
SCHEMBL16280996 0.71 KDM4E (0.42) ALDH1A1KDM4EHMGCRCHRM1TBXA2R
SCHEMBL125115 0.71
SCHEMBL626112 0.70
SCHEMBL95243 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3969230-A Brominated carbamoyl derivatives useful to impart flame retarding property to combustible substrates HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-07-13 US disclosed