SCHEMBL9034245

SCHEMBL9034245

CCC(C)[C@H](NCC1CCC(S)C1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ENPEP Q07075 2/20 0.34
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
PARP1 P09874 1/20 0.31
HTT P42858 1/20 0.30
DPP4 P27487 2/20 0.30

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
SCHEMBL9033802 0.77 ENPEP (0.33) L3MBTL1ENPEPHTT
SCHEMBL9034247 0.75 DPP4 (0.38) TDP1KMT2ADPP4
SCHEMBL9033435 0.75 ATM (0.41) KMT2A
SCHEMBL30700134 0.69 ALDH1A1 (0.41) L3MBTL1ENPEPKMT2AHTT
SCHEMBL3224829 0.68 CNR1 (0.41) TDP1KMT2A
SCHEMBL15414171 0.68 TDP1 (0.48) TDP1KMT2APARP1
SCHEMBL19555063 0.68 TDP1 (0.48) TDP1KMT2APARP1
SCHEMBL9193247 0.67 ENPEP (0.40) L3MBTL1ENPEPHTT
SCHEMBL7273942 0.67 ENPEP (0.39) L3MBTL1ENPEP
SCHEMBL7276512 0.67 ENPEP (0.39) L3MBTL1ENPEP

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