SCHEMBL9033512

SCHEMBL9033512

CCC(C)[C@H](NCC1CC(S)CN1)C(=O)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ANPEP P15144 1/20 0.39
KDM4A O75164 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL9033517 0.92 POLB (0.40) POLBHTTKMT2AMEN1TSHR
SCHEMBL9033473 0.92 ANPEP (0.47) KMT2AMEN1TSHRANPEPMC4R
SCHEMBL9033478 0.88 ANPEP (0.44) KMT2AMEN1CTSLCTSBANPEP
SCHEMBL9033870 0.86 HTT (0.46) POLBHTTKMT2AMEN1CYP2C9
SCHEMBL9032637 0.83 MEN1 (0.46) POLBKMT2AMEN1
SCHEMBL9033533 0.81 HPGD (0.31) HTT
SCHEMBL9033715 0.80 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19
SCHEMBL9032679 0.80 L3MBTL1 (0.31)
SCHEMBL9033796 0.79 KCNH2 (0.41) MC4R
SCHEMBL9033881 0.79 ALDH1A1 (0.43) POLBHTTKMT2AMEN1CYP2C9

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