SCHEMBL16634584

SCHEMBL16634584

Nc1cc(COC2CCCCO2)ccc1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 8/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
GFER P55789 4/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
THRB P10828 3/20 0.46
HPGD P15428 3/20 0.46
EP300 Q09472 1/20 0.45
GLA P06280 1/20 0.41
RCE1 Q9Y256 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
HCAR3 P49019 1/20 0.38

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
SCHEMBL16645316 0.90 CREBBP (0.44) CREBBPKMT2AMEN1GAAKDM4E
SCHEMBL16634747 0.88 CREBBP (0.46) CREBBPKMT2AMEN1GAAKDM4E
SCHEMBL16634741 0.85 KMT2A (0.55) CREBBPKMT2AMEN1GAAMAPT
SCHEMBL16634739 0.85 KMT2A (0.55) CREBBPKMT2AMEN1GAAMAPT
SCHEMBL3811958 0.81 KMT2A (0.64) CREBBPKMT2AMEN1NPC1ALDH1A1
SCHEMBL20985264 0.78 ALOX15 (0.41) CREBBPKMT2AMEN1GAAALDH1A1
SCHEMBL20985266 0.78 ALOX15 (0.41) CREBBPKMT2AMEN1GAAALDH1A1
SCHEMBL4309447 0.77 CREBBP (0.59) CREBBPKMT2AMEN1ALDH1A1EP300
SCHEMBL4505041 0.76 MEN1 (0.54) CREBBPKMT2AMEN1GFERNPC1
SCHEMBL16634625 0.74 HCAR3 (0.52) CREBBPKMT2AMEN1MAPTNPC1

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed