SCHEMBL13810498

SCHEMBL13810498

Cc1cc(OC[C@H](O)COc2cccc(C[C@H](OC(C)C)C(=O)O)c2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.44
PPARG P37231 10/20 0.44
PPARA Q07869 10/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
PPARD Q03181 3/20 0.43

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
SCHEMBL4336800 1.00 KMT2A (0.50) KMT2ASMN1; SMN2MRGPRX4MEN1HTT
SCHEMBL4336806 1.00 KMT2A (0.50) KMT2ASMN1; SMN2MRGPRX4MEN1HTT
SCHEMBL6651835 0.92 PPARG (0.54) KMT2AMRGPRX4MEN1PPARGPPARA
SCHEMBL4329927 0.92 PPARG (0.54) KMT2AMRGPRX4MEN1PPARGPPARA
SCHEMBL4336962 0.92 PPARG (0.54) KMT2AMRGPRX4MEN1PPARGPPARA
SCHEMBL4332358 0.91 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2MEN1PPARGPPARA
SCHEMBL4335028 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4335023 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4336067 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4327605 0.89 PPARG (0.55) KMT2AMEN1PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed