SCHEMBL9033478

SCHEMBL9033478

CC[C@H](C)[C@H](NCc1ccccc1)C(=O)NCC1CC(S)CN1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MASP2 O00187 1/20 0.38
MC4R P32245 1/20 0.37

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) ANPEPCTSLCTSBCTSSMEN1
SCHEMBL9033473 0.92 ANPEP (0.47) ANPEPKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9033512 0.88 POLB (0.46) ANPEPCTSLCTSBMEN1KMT2A
SCHEMBL9033801 0.87 KCNH2 (0.39) ALDH1A1MC4R
SCHEMBL9033723 0.86 F2 (0.39) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9033537 0.81 L3MBTL1 (0.32)
SCHEMBL9033881 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9050945 0.80 MEN1 (0.36) ANPEPMEN1KMT2AMASP2
SCHEMBL9032688 0.80 L3MBTL1 (0.33) MEN1KMT2A
SCHEMBL9033796 0.79 KCNH2 (0.41) ALDH1A1MC4R

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