SCHEMBL7315850

SCHEMBL7315850

O=C(O)C1(Cl)CC1c1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.40
PTGDR Q13258 6/20 0.40
PTGER2 P43116 1/20 0.40
FFAR2 O15552 1/20 0.38
STING1 Q86WV6 1/20 0.38
KMO O15229 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
NSD2 O96028 1/20 0.36
NSD1 Q96L73 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
HPSE Q9Y251 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
EBP Q15125 1/20 0.36
CEL P19835 1/20 0.35

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
SCHEMBL7346178 0.86 CYP3A4 (0.40) PTGDR2PTGDRPTGER2KMOACMSD
SCHEMBL7319310 0.82 PTGDR2 (0.34) PTGDR2PTGDRPTGER2KMOACMSD
SCHEMBL7321511 0.82 SLC18A3 (0.40) PTGDR2PTGDRPTGER2KMOACMSD
SCHEMBL7317859 0.82 HAO1 (0.44) KMOACMSD
SCHEMBL28190200 0.80 NPSR1 (0.43) KMO
SCHEMBL3786167 0.75 SLC6A2 (0.50) KMOACMSDSIGMAR1TMEM97EBP
SCHEMBL28317670 0.74 CYP3A4 (0.31)
SCHEMBL8331330 0.73 SLC6A2 (0.49) KMOACMSDSIGMAR1TMEM97EBP
SCHEMBL7312887 0.73 FFAR1 (0.44) PTGDR2PTGDRPTGER2FFAR2STING1
SCHEMBL3785820 0.73 SLC6A2 (0.51) KMOACMSDSIGMAR1TMEM97EBP

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-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed