SCHEMBL14684351

SCHEMBL14684351

C=C(c1ccccc1)c1ccc(OO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PARP10 Q53GL7 5/20 0.45
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ ELANE P08246 2/20 0.42
▸ CES2 O00748 2/20 0.41
▸ CES1 P23141 2/20 0.41
▸ SRD5A2 P31213 2/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ BAX Q07812 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PARP15 Q460N3 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ PARP16 Q8N5Y8 1/20 0.37

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
SCHEMBL4025301 0.88 MEN1 (0.52) KMT2AMEN1PARP10MAPTHTT
SCHEMBL29110245 0.86 PARP10 (0.55) KMT2AMEN1PARP10SRD5A2LTA4H
SCHEMBL10678296 0.84 LTA4H (0.57) KMT2AMEN1PARP10SRD5A2LTA4H
SCHEMBL894135 0.83 MEN1 (0.65) KMT2AMEN1MAPTHTTGFER
SCHEMBL18346348 0.80 CES2 (0.64) KMT2AMEN1MAPTCES2CES1
SCHEMBL21220132 0.80 CES2 (0.64) KMT2AMEN1MAPTCES2CES1
SCHEMBL2008961 0.80 CES2 (0.64) KMT2AMEN1MAPTCES2CES1
Benzene SCHEMBL28340939 0.80 MEN1 (0.61) KMT2AMEN1MAPTHTTGFER
Benzene SCHEMBL9731493 0.80 MEN1 (0.61) KMT2AMEN1MAPTHTTGFER
SCHEMBL7930063 0.80 MEN1 (0.61) KMT2AMEN1MAPTHTTGFER

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-2013019917-A2 PERMANENT ATTACHMENT OF AMMONIUM AND GUANIDINE-BASED ANTIMICROBIALS TO SURFACES CONTAINING C-H FUNCTIONALITY THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-02-07 — — WO disclosed
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