SCHEMBL28095482

SCHEMBL28095482

CCCOc1ccc(C=O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
LMNA P02545 3/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
DPP4 P27487 1/20 0.43
PRKDC P78527 1/20 0.43
TP53 P04637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41

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
SCHEMBL16020852 0.93 LMNA (0.47) ERN1LMNACA12CA1CA2
SCHEMBL7661459 0.87 CA12 (0.47) ERN1LMNACA12CA1CA2
SCHEMBL15145284 0.86 LMNA (0.59) ERN1LMNACA12CA1CA2
SCHEMBL18199319 0.84 ERN1 (0.50) ERN1LMNACA12CA1CA2
SCHEMBL13127068 0.84 LTA4H (0.46) ERN1ALDH1A1
SCHEMBL25374930 0.83 CA1 (0.48) ERN1LMNACA12CA1CA2
SCHEMBL1498751 0.83 LMNA (0.40) ERN1LMNAPRKDCALDH1A1TRIM24
SCHEMBL20892596 0.82 ALDH1A1 (0.67) ERN1DPP4ALDH1A1TRIM24TYR
SCHEMBL30091707 0.81 LMNA (0.43) ERN1LMNAPRKDCHDAC8ALDH1A1
SCHEMBL22272552 0.81 LMNA (0.43) ERN1LMNAPRKDCHDAC8ALDH1A1

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
CN-102186845-B S1P receptor modulators and their purposes 阿卡制药有限公司 2016-09-07 CN disclosed