SCHEMBL16634747

SCHEMBL16634747

Nc1cc(COC2CCCCO2)ccc1Nc1ccc(C(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EP300 Q09472 1/20 0.42
GAA P10253 8/20 0.41
KDM4E B2RXH2 6/20 0.41
GFER P55789 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
THRB P10828 3/20 0.37
HPGD P15428 3/20 0.37
HCAR3 P49019 1/20 0.37
NPC1 O15118 2/20 0.35
GLA P06280 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL16634584 0.88 CREBBP (0.49) CREBBPMEN1KMT2AEP300GAA
SCHEMBL16634625 0.85 HCAR3 (0.52) CREBBPMEN1KMT2AEP300MAPT
SCHEMBL16634623 0.85 HCAR3 (0.52) CREBBPMEN1KMT2AEP300MAPT
SCHEMBL16645316 0.81 CREBBP (0.44) CREBBPMEN1KMT2AEP300GAA
SCHEMBL3811958 0.77 KMT2A (0.64) CREBBPMEN1KMT2AEP300ALDH1A1
SCHEMBL20985266 0.77 ALOX15 (0.41) CREBBPMEN1KMT2AEP300GAA
SCHEMBL20985264 0.77 ALOX15 (0.41) CREBBPMEN1KMT2AEP300GAA
SCHEMBL16645348 0.75 CREBBP (0.38) CREBBPMEN1KMT2AEP300GAA
SCHEMBL4505041 0.74 MEN1 (0.54) CREBBPMEN1KMT2AEP300GFER
SCHEMBL2881940 0.74 MEN1 (0.44) CREBBPMEN1KMT2AEP300SMN1; SMN2

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