SCHEMBL28113934

SCHEMBL28113934

OCCOc1cccc2c1-c1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IDO1 P14902 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE5A O76074 1/20 0.42
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA3 P22001 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
AR P10275 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ADRB2 P07550 2/20 0.40

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
SCHEMBL28365315 0.86 KCNA3 (0.59) ALDH1A1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL7933560 0.86 KCNA3 (0.59) ALDH1A1RECQLTP53MAPK1RAB9A
SCHEMBL1938309 0.81 TP53 (0.57) ALDH1A1RECQLTP53MAPK1RAB9A
SCHEMBL4744929 0.79 TP53 (0.51) ALDH1A1RECQLTP53MAPK1RAB9A
SCHEMBL17305579 0.79 KCNA3 (0.59) ALDH1A1TP53MAPK1RAB9AHTT
SCHEMBL2266343 0.79 KCNA3 (0.68) ALDH1A1RECQLMAPK1RAB9ALMNA
SCHEMBL29510942 0.79 ALDH1A1 (0.61) ALDH1A1RECQLTP53MAPK1RAB9A
SCHEMBL238824 0.79 ALDH1A1 (0.61) ALDH1A1RECQLTP53MAPK1RAB9A
SCHEMBL12332436 0.78 KCNA3 (0.58) ALDH1A1MAPK1LMNAHTTSMN1; SMN2
SCHEMBL27747563 0.78 CYP1A2 (0.49) LMNAPDE5AMEN1KMT2AKCNA3

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-106318320-A Antifogging agent for automobile glass and preparation method thereof 马可昕 2017-01-11 CN disclosed