SCHEMBL10359698

SCHEMBL10359698

CC(C)C1(C)Oc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MME P08473 3/20 0.40
ACE P12821 3/20 0.40
ALOX12 P18054 1/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL10358550 0.87 MEN1 (0.40) KMT2AMEN1ALDH1A1MMEACE
SCHEMBL4970309 0.83 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MMEACE
SCHEMBL10358622 0.80 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1ATMCA12
SCHEMBL4970642 0.75 MEN1 (0.43) KMT2AMEN1ALDH1A1MMEACE
SCHEMBL10358499 0.71 LMNA (0.45) KMT2AMEN1ALDH1A1MMEACE
SCHEMBL4970645 0.70 MEN1 (0.57) KMT2AMEN1ALDH1A1MMEACE
SCHEMBL5087842 0.70 MEN1 (0.55) KMT2AMEN1ALDH1A1ATML3MBTL1
SCHEMBL15157179 0.70 TP53 (0.61) KMT2AMEN1ALDH1A1ATMCA12
SCHEMBL4969646 0.69 POLB (0.61) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4969816 0.69 ELANE (0.38) KMT2AMEN1ALDH1A1ATMPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 EP disclosed