SCHEMBL4130175

SCHEMBL4130175

CCC(OCc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CETP P11597 3/20 0.39
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.38
MAOB P27338 1/20 0.38
RIPK1 Q13546 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11044937 0.86 PPARA (0.46) KMT2AMAPTMEN1
SCHEMBL11249627 0.86 PPARA (0.46) KMT2AMAPTMEN1
SCHEMBL11247181 0.86 PPARA (0.46) KMT2AMAPTMEN1
Ammonia Solution, Strong SCHEMBL11243218 0.85 PPARA (0.45) KMT2AMAPTMEN1
SCHEMBL11299144 0.85 PPARA (0.45) KMT2AMAPTMEN1
SCHEMBL17653674 0.84 CYP2D6 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL17653676 0.84 CYP2D6 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
Hydrochloric Acid SCHEMBL6519090 0.83 CHRM2 (0.45) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL29214674 0.81 CHRM2 (0.40) ALDH1A1KMT2AKDM4EMEN1SLC6A3
SCHEMBL27677244 0.81 GLA (0.42) ALDH1A1KMT2AMAPTL3MBTL1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145810-B A kind of method preparing MFG Hybio Pharmaceutical Co., Ltd. (CN) 2016-02-17 CN disclosed
CN-103145810-A Method for preparing micafungin SHENZHEN HYBIO PHARMACEUTICAL 2013-06-12 CN disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed