SCHEMBL9034722

SCHEMBL9034722

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
HTRA1 Q92743 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
PLA2G4A P47712 2/20 0.35
PLA2G6 O60733 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TACR1 P25103 3/20 0.34
CFD P00746 1/20 0.34
NR1H3 Q13133 2/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL9034739 1.00 ABCB1 (0.41) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9034729 1.00 ABCB1 (0.41) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9034732 1.00 ABCB1 (0.41) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9034508 0.91 ABCB1 (0.39) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9033332 0.90 ABCB1 (0.37) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9033336 0.90 ABCB1 (0.37) ABCB1POLBKMT2AHTRA1PLA2G4A
SCHEMBL9035892 0.90 ABCB1 (0.37) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9033581 0.90 ABCB1 (0.42) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9033968 0.89 ABCB1 (0.40) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9034024 0.89 ABCB1 (0.39) ABCB1POLBKMT2AKDM4EPKM

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