SCHEMBL11786178

SCHEMBL11786178

Brc1ccccc1N(Br)Br.CCC(O)(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
RIPK1 Q13546 1/20 0.35
TSHR P16473 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
HTR7 P34969 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL80035 0.81 ALDH1A1 (0.39) ESR1TSHRTAAR1ALDH1A1HTR7
Hydrochloric Acid SCHEMBL27838096 0.79 ALDH1A1 (0.38) ESR1TAAR1ALDH1A1
Bromide SCHEMBL27840076 0.79 ALDH1A1 (0.38) ESR1TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL28468266 0.77 ALDH1A1 (0.36) ESR1TAAR1ALDH1A1
Sulfuric Acid SCHEMBL31468827 0.74 ESR1 (0.42) ESR1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL28424135 0.73 ALDH1A1 (0.33) ESR1TAAR1ALDH1A1
SCHEMBL11718321 0.69 ALDH1A3 (0.48) ESR1TSHRTAAR1ALDH1A1CYP1A2
SCHEMBL27821582 0.68 MEN1 (0.42) ESR1TSHRTAAR1ALDH1A1HSD17B10
SCHEMBL30018773 0.67 ESR1 (0.44) ESR1TSHRTAAR1ALDH1A1CYP1A2
SCHEMBL12027990 0.66 ALDH1A1 (0.40) ESR1TSHRTAAR1ALDH1A1HPGD

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-3985661-A LUBRICANT-ABSORBING POWDER CARRIER SUMITOMO ELECTRIC INDUSTRIES, LTD. (JA) 1976-10-12 US claimed
US-3985661-A LUBRICANT-ABSORBING POWDER CARRIER SUMITOMO ELECTRIC INDUSTRIES, LTD. (JA) 1976-10-12 US disclosed