SCHEMBL9033588

SCHEMBL9033588

CC[C@H](C)[C@H](NCc1ccccc1)C(=O)NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
ANPEP P15144 1/20 0.36
PLA2G4A P47712 2/20 0.35
POLB P06746 1/20 0.35
PLA2G6 O60733 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
TACR1 P25103 1/20 0.34
CA2 P00918 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL9032745 0.95 ABCB1 (0.39) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9033581 0.94 ABCB1 (0.42) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9035133 0.93 ABCB1 (0.39) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9033888 0.93 ABCB1 (0.41) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9033847 0.93 TACR1 (0.40) ABCB1KMT2APLA2G4APLA2G6PKM
SCHEMBL9034510 0.92 ABCB1 (0.37) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9034867 0.92 ABCB1 (0.35) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9032739 0.90 ABCB1 (0.40) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9033882 0.90 ABCB1 (0.42) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9033350 0.90 ALDH1A1 (0.35) ABCB1ATMGPR119PLA2G4APOLB

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-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed