SCHEMBL10379955

SCHEMBL10379955

O=C(CCC(=O)Oc1ccc2ccccc2c1Br)Oc1ccc2ccccc2c1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.63
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 3/20 0.62
NPC1 O15118 2/20 0.62
HPGD P15428 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
HTT P42858 2/20 0.57
CYP2C9 P11712 1/20 0.57
RXFP1 Q9HBX9 4/20 0.53
PRNP P04156 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL10379956 0.94 RXFP1 (0.62) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL19439381 0.83 NCEH1 (0.67) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL27547560 0.81 NCEH1 (0.69) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11863351 0.81 NCEH1 (0.65) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11370297 0.79 ALDH1A1 (0.59) RAB9AHPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL830202 0.78 NCEH1 (1.00) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL829227 0.77 SMN1; SMN2 (1.00) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3709946 0.75 PRNP (0.71) NCEH1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11370296 0.73 ALDH1A1 (0.58) RAB9AMAPTHPGDCYP1A2HTT
SCHEMBL30448350 0.73 MAPT (0.45) NCEH1MAPTALDH1A1L3MBTL1MEN1

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
WO-1990006372-A1 SUBSTRATES FOR PEROXIDASE ASSAYING MICROPROBE CORPORATION (US) 1990-06-14 WO disclosed