SCHEMBL11281019

SCHEMBL11281019

CCOC(=O)C(Br)C(Br)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 7/20 0.42
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.38
PIN1 Q13526 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL1415615 0.90 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL22144315 0.90 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL16042459 0.80 CYP2C19 (0.40) CYP2C19ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL9213373 0.80 CYP2C19 (0.40) CYP2C19ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL1733288 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL1731339 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL3218141 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL9834260 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL10867163 0.78 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL89146 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1TRPA1LMNAHSD17B10

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
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed
US-4316025-A STABVILIZERS FOR POLYMERS CHIMOSA CHIMICA ORGANICA S.P.A. (IT) 1982-02-16 US disclosed