SCHEMBL11401902

SCHEMBL11401902

COc1ccc(Sc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LDHA P00338 1/20 0.42
POLB P06746 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL11406307 0.82 ALDH1A1 (0.48) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL6669441 0.81 KMT2A (0.51) KMT2AALDH1A1KDM4EPOLBNPC1
SCHEMBL6641615 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHPGDCA1CA2
SCHEMBL2110236 0.80 ALDH1A1 (0.46) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL7824192 0.79 PTPN11 (0.53) ALDH1A1HPGDKDM4EPOLBNPC1
SCHEMBL11397187 0.79 NR4A1 (0.44) KMT2AALDH1A1MAPTPOLBL3MBTL1
SCHEMBL6638712 0.78 NPC1 (0.52) KDM4EPOLBNPC1RAB9AL3MBTL1
SCHEMBL25257442 0.77 TDP1 (0.54) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11400094 0.74 SMN1; SMN2 (0.50) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL4672384 0.74 ALDH1A1 (0.41) KMT2AALDH1A1MAPTHPGDKDM4E

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
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 US disclosed