SCHEMBL9033847

SCHEMBL9033847

CC[C@H](C)[C@H](NCc1cccc(C(F)(F)F)c1)C(=O)NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.40
KMT2A Q03164 2/20 0.38
CETP P11597 3/20 0.37
ABCB1 P08183 1/20 0.37
PSMB5 P28074 1/20 0.36
GHSR Q92847 1/20 0.35
PLA2G4A P47712 2/20 0.35
PLA2G6 O60733 1/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
PKM P14618 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9033839 0.95 KMT2A (0.40) TACR1KMT2ACETPABCB1PSMB5
SCHEMBL9033588 0.93 ABCB1 (0.40) TACR1KMT2AABCB1PLA2G4APLA2G6
SCHEMBL9035133 0.92 ABCB1 (0.39) TACR1KMT2AABCB1GHSRPLA2G4A
SCHEMBL9032745 0.88 ABCB1 (0.39) TACR1KMT2AABCB1GHSRPLA2G4A
SCHEMBL9033888 0.88 ABCB1 (0.41) KMT2AABCB1PLA2G4APLA2G6
SCHEMBL9033581 0.87 ABCB1 (0.42) KMT2AABCB1TSHR
SCHEMBL9035126 0.87 ABCB1 (0.40) TACR1KMT2AABCB1GHSRPLA2G4A
SCHEMBL9034510 0.86 ABCB1 (0.37) TACR1KMT2AABCB1PLA2G4APLA2G6
SCHEMBL9034867 0.86 ABCB1 (0.35) TACR1KMT2AABCB1PLA2G4APLA2G6
SCHEMBL9033882 0.84 ABCB1 (0.42) KMT2AABCB1

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