SCHEMBL9033888

SCHEMBL9033888

CC[C@H](C)[C@H](NCCc1ccccc1)C(=O)NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
CA2 P00918 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
PTPN1 P18031 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
PLA2G4A P47712 2/20 0.34
PLA2G6 O60733 1/20 0.34
POLB P06746 1/20 0.34
CTSK P43235 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
SCHEMBL9035172 0.96 ABCB1 (0.39) ABCB1KMT2AATMMEN1CA2
SCHEMBL9033882 0.94 ABCB1 (0.42) ABCB1KMT2AATMMEN1CA2
SCHEMBL9033588 0.93 ABCB1 (0.40) ABCB1KMT2AATMMEN1CA2
SCHEMBL9034612 0.90 SMN1; SMN2 (0.39) ABCB1KMT2AMEN1
SCHEMBL9034510 0.90 ABCB1 (0.37) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9035167 0.90 CA2 (0.41) ABCB1KMT2AMEN1CA2HDAC8
SCHEMBL9033581 0.89 ABCB1 (0.42) ABCB1KMT2AATMMEN1HDAC8
SCHEMBL9034419 0.89 ABCB1 (0.38) ABCB1KMT2AATMMEN1GPR119
SCHEMBL9032745 0.89 ABCB1 (0.39) ABCB1KMT2AATMMEN1CA2
SCHEMBL9035133 0.88 ABCB1 (0.39) ABCB1KMT2AATMMEN1CA2

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