SCHEMBL9713149

SCHEMBL9713149

CCC1(C(=O)CC#N)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.36
MCL1 Q07820 4/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 3/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL17351568 0.80 DPP4 (0.39) MCL1CYP2C19DPP4CTSLCTSB
SCHEMBL17351566 0.79 DPP4 (0.43) MCL1DPP4HSD17B10ALDH1A1MEN1
SCHEMBL15571853 0.78 CYP2C19 (0.33) MCL1CYP2C19HSD17B10
SCHEMBL17351452 0.78 NLRP3 (0.32) MCL1HSD17B10
SCHEMBL17351306 0.78 DPP4 (0.40) MCL1DPP4HSD17B10ALDH1A1MEN1
SCHEMBL11821710 0.77 CYP2C19 (0.41) CETPCYP2C19ALDH1A1
SCHEMBL16541488 0.76 DPP4 (0.37) MCL1DPP4CTSLCTSBHSD17B10
SCHEMBL371371 0.76 DPP4 (0.37) MCL1DPP4CTSLCTSBHSD17B10
Acetonitrile SCHEMBL28145464 0.75 CYP2C19 (0.32) CYP2C19HSD17B10
SCHEMBL17351421 0.74 DPP4 (0.37) MCL1DPP4ALDH1A1MEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
US-4398044-A Synthesis of acetyl-T-alkanes ELI LILLY AND COMPANY (US) 1983-08-09 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed