SCHEMBL9034134

SCHEMBL9034134

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
LMNA P02545 1/20 0.35
PLA2G4A P47712 2/20 0.34
PLA2G6 O60733 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
HDAC8 Q9BY41 3/20 0.33
HSD11B1 P28845 1/20 0.33
TGFBR1 P36897 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 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
SCHEMBL9034138 0.89 PLA2G4A (0.36) ABCB1KMT2AMEN1PLA2G4APLA2G6
SCHEMBL9034739 0.89 ABCB1 (0.41) ABCB1KMT2AMEN1PLA2G4APLA2G6
SCHEMBL9034732 0.89 ABCB1 (0.41) ABCB1KMT2AMEN1PLA2G4APLA2G6
SCHEMBL9034722 0.89 ABCB1 (0.41) ABCB1KMT2AMEN1PLA2G4APLA2G6
SCHEMBL9034729 0.89 ABCB1 (0.41) ABCB1KMT2AMEN1PLA2G4APLA2G6
SCHEMBL9034508 0.88 ABCB1 (0.39) ABCB1KMT2AMEN1PLA2G4APLA2G6
SCHEMBL9034024 0.88 ABCB1 (0.39) ABCB1KMT2APLA2G4APLA2G6KDM4E
SCHEMBL9033882 0.88 ABCB1 (0.42) ABCB1KMT2AMEN1POLBHDAC8
SCHEMBL9033581 0.88 ABCB1 (0.42) ABCB1KMT2AMEN1POLBHDAC8
SCHEMBL9035892 0.86 ABCB1 (0.37) ABCB1KMT2AMEN1PLA2G4APLA2G6

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