SCHEMBL9727344

SCHEMBL9727344

COC(=O)c1ccc(OC(=O)NC(CSC(C)=O)Cc2ccccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MGLL Q99685 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
METAP2 P50579 1/20 0.37
LIPE Q05469 1/20 0.37

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
SCHEMBL9322293 0.90 PPARG (0.38) MAOBALDH1A1PPARGPPARACYP3A4
SCHEMBL9459542 0.87 MAPT (0.45) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL9459027 0.80 SLC7A5 (0.42) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9459549 0.78 LMNA (0.40) MAPTKMT2AALOX12CYP2C9TSHR
SCHEMBL7398409 0.76 CTRB1 (0.51) L3MBTL1CYP2C9RAB9AALDH1A1PPARG
SCHEMBL9727172 0.75 NLRP3 (0.48) CYP2C9ALDH1A1PPARACYP3A4
SCHEMBL9727232 0.75 LMNA (0.43) KMT2ACYP2C9PPARGPPARACYP3A4
SCHEMBL9727233 0.75 LMNA (0.43) KMT2ACYP2C9PPARGPPARACYP3A4
SCHEMBL9459260 0.75 GAA (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL9459397 0.73 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1PPARG

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-5173506-A For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals SCHERING CORPORATION (US) 1992-12-22 US disclosed