SCHEMBL9080460

SCHEMBL9080460

CCCC(=O)N(Cc1ccc2nc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(C(=O)O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.32
AGTR1 P30556 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL8486859 0.99 LTB4R2 (0.34) LTB4R2USP2ALDH1A1LMNAPKM
SCHEMBL8488532 0.95 AGTR1 (0.37) LTB4R2PKMAGTR1PTGDR2
SCHEMBL8483534 0.95 LTB4R2 (0.37) LTB4R2PKMAGTR1PTGDR2
SCHEMBL9079124 0.94 LTB4R2 (0.36) LTB4R2PKMAGTR1PTGDR2
SCHEMBL9080766 0.93 OPRM1 (0.34) LTB4R2
SCHEMBL8487185 0.90 KDM4E (0.33)
SCHEMBL8807760 0.90 USP2 (0.32) LTB4R2USP2ALDH1A1LMNAPKM
SCHEMBL8910347 0.89 KDM4E (0.33)
SCHEMBL8808240 0.89 USP2 (0.33) LTB4R2USP2ALDH1A1LMNAPKM
SCHEMBL9080394 0.89 LTB4R2 (0.34) LTB4R2

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-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed