SCHEMBL14967103

SCHEMBL14967103

Cc1ccc(OC(C)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SRD5A2 P31213 3/20 0.52
LTB4R Q15722 6/20 0.48
LTB4R2 Q9NPC1 6/20 0.48
ALOX5 P09917 1/20 0.48
MEN1 O00255 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARA Q07869 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14967524 0.86 KMT2A (0.59) KMT2ASRD5A2LTB4RLTB4R2ALOX5
SCHEMBL10148419 0.86 KMT2A (0.65) KMT2ASRD5A2LTB4RLTB4R2ALOX5
SCHEMBL8782592 0.86 KMT2A (0.65) KMT2ASRD5A2LTB4RLTB4R2ALOX5
SCHEMBL10148418 0.86 KMT2A (0.65) KMT2ASRD5A2LTB4RLTB4R2ALOX5
SCHEMBL14966382 0.86 KMT2A (0.59) KMT2ASRD5A2LTB4RLTB4R2ALOX5
SCHEMBL14967363 0.85 PPARA (0.59) KMT2AALDH1A1SRD5A2LTB4RLTB4R2
SCHEMBL20370928 0.85 SRD5A2 (0.66) KMT2AALDH1A1SMN1; SMN2SRD5A2MEN1
SCHEMBL9102528 0.84 KMT2A (0.85) KMT2AALDH1A1SMN1; SMN2SRD5A2MEN1
SCHEMBL14967257 0.84 MEN1 (0.68) KMT2AALDH1A1SMN1; SMN2LTB4RLTB4R2
SCHEMBL14967540 0.83 RXRA (0.52) KMT2AALDH1A1SMN1; SMN2SRD5A2LTB4R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed