SCHEMBL17200005

SCHEMBL17200005

CCc1cc(OC(=O)O)on1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PPARA Q07869 1/20 0.34
NPC1 O15118 3/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17200012 0.86 PPARA (0.41) RAB9AL3MBTL1PPARANPC1SMN1; SMN2
SCHEMBL9525312 0.84 EPHX2 (0.38) EPHX2RAB9ATDP1L3MBTL1PPARA
SCHEMBL3723489 0.76 HCAR2 (0.52) RAB9AL3MBTL1NPC1KMT2ASMN1; SMN2
SCHEMBL22432012 0.75
SCHEMBL7510232 0.73 SMPD1 (0.45) KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL185760 0.73 ALDH1A1 (0.39) TDP1KMT2AHCAR2KDM4EALDH1A1
SCHEMBL8986681 0.72 ALDH1A1 (0.31) HCAR2ALDH1A1
SCHEMBL597064 0.72 HCAR2 (0.57) EPHX2RAB9ATDP1L3MBTL1PPARA
SCHEMBL11144537 0.72 ALDH1A1 (0.34) HCAR2ALDH1A1
SCHEMBL186457 0.72 TSHR (0.32) HCAR2ALDH1A1

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
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed