SCHEMBL7913496

SCHEMBL7913496

COC(=O)N1CCC2CCCCC2C1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
PREP P48147 2/20 0.36
NPC1 O15118 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4B Q07343 1/20 0.33
RAB9A P51151 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
FKBP1A P62942 1/20 0.33
TSHR P16473 1/20 0.33
USP30 Q70CQ3 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32

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
SCHEMBL7903396 0.81 ACE (0.39) NPC1ALDH1A1RAB9ATSHR
SCHEMBL7910773 0.81 THRB (0.40) NPC1ALDH1A1RAB9AFKBP1A
SCHEMBL24113489 0.77 EPHX1 (0.38) EPHX1PREPPDE4BHSD17B10
SCHEMBL4308796 0.77 EPHX1 (0.38) EPHX1PREPPDE4BHSD17B10
SCHEMBL25764462 0.77 EPHX1 (0.38) EPHX1PREPPDE4BHSD17B10
SCHEMBL16943545 0.76 PREP (0.37) EPHX1PREPNPC1ALDH1A1HSD17B10
SCHEMBL16943564 0.76 PREP (0.37) EPHX1PREPNPC1ALDH1A1HSD17B10
SCHEMBL15247679 0.76 PREP (0.38) PREPHPGDHSD17B10
SCHEMBL16732850 0.75 HSD17B10 (0.44) EPHX1PREPHPGDGPR119HSD17B10
SCHEMBL5204643 0.75 HSD17B10 (0.44) EPHX1PREPHPGDGPR119HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214841-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-04-10 US disclosed
EP-0884326-A2 Antithrombitic compound ELI LILLY AND COMPANY (US) 1998-12-16 EP disclosed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP disclosed