SCHEMBL9033882

SCHEMBL9033882

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
CA2 P00918 2/20 0.41
HDAC8 Q9BY41 1/20 0.37
PTPN1 P18031 1/20 0.37
KMT2A Q03164 3/20 0.36
CTSK P43235 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
ATM Q13315 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
SCHEMBL9035167 0.96 CA2 (0.41) ABCB1CA2HDAC8PTPN1KMT2A
SCHEMBL9033888 0.94 ABCB1 (0.41) ABCB1CA2HDAC8PTPN1KMT2A
SCHEMBL9033581 0.92 ABCB1 (0.42) ABCB1HDAC8KMT2ACTSKGPR119
SCHEMBL9034024 0.91 ABCB1 (0.39) ABCB1CA2KMT2APOLB
SCHEMBL9034604 0.90 SMN1; SMN2 (0.41) ABCB1KMT2AHTTMEN1ATM
SCHEMBL9034508 0.90 ABCB1 (0.39) ABCB1KMT2ACTSKGPR119POLB
SCHEMBL9033588 0.90 ABCB1 (0.40) ABCB1CA2HDAC8KMT2AGPR119
SCHEMBL9035172 0.90 ABCB1 (0.39) ABCB1CA2HDAC8PTPN1KMT2A
SCHEMBL9034415 0.89 ABCB1 (0.41) ABCB1KMT2AGPR119POLB
SCHEMBL9034732 0.89 ABCB1 (0.41) ABCB1KMT2AGPR119POLBMEN1

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