SCHEMBL9136154

SCHEMBL9136154

COC(=O)[C@](C)(N=C(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.51
SRC P12931 1/20 0.47
CES1 P23141 1/20 0.44
ELANE P08246 2/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 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
SCHEMBL7655470 0.74 KCNN4 (0.51) KCNN4SRCCES1ELANETSHR
SCHEMBL24593560 0.74 SRC (0.47) KCNN4SRCCES1ELANETSHR
SCHEMBL7028227 0.74 KCNN4 (0.51) KCNN4SRCCES1ELANETSHR
SCHEMBL112458 0.74 KCNN4 (0.47) KCNN4SRCCES1ELANETSHR
SCHEMBL1682976 0.73 KCNN4 (0.64) KCNN4SRCCES1ELANETSHR
SCHEMBL15108201 0.73 KCNN4 (0.50) KCNN4SRCCES1ELANETSHR
SCHEMBL15108248 0.73 KCNN4 (0.50) KCNN4SRCCES1ELANETSHR
SCHEMBL29062334 0.72 CES1 (0.41) KCNN4SRCCES1TSHRNPC1
SCHEMBL16732028 0.71 KCNN4 (0.67) KCNN4SRCCES1ELANETSHR
SCHEMBL4022191 0.71 KCNN4 (0.67) KCNN4SRCCES1ELANETSHR

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
US-5416093-A DIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1995-05-16 US disclosed