SCHEMBL7313962

SCHEMBL7313962

O=C(O)CCC(O)c1cc(Cl)c(C2CCCCC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.40
▸ PTGDR Q13258 3/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ THRB P10828 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RORC P51449 1/20 0.33

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
SCHEMBL7322430 0.83 PTGDR2 (0.45) PTGDR2PTGDRPTGER2THRB
SCHEMBL7321091 0.75 PTGDR2 (0.42) PTGDR2PTGDRPTGER2
SCHEMBL11830988 0.75 ALDH1A1 (0.50) PTGER2KDM4E
SCHEMBL7324416 0.75 ALDH1A1 (0.50) PTGER2KDM4E
SCHEMBL11829529 0.74 ALDH1A1 (0.51) PTGER2
SCHEMBL11825598 0.72 PTGDR2 (0.45) PTGDR2PTGDRPTGER2THRBSLC6A3
SCHEMBL11829313 0.72 PTGDR2 (0.41) PTGDR2PTGDRPTGER2THRBTHRA
SCHEMBL7321177 0.72 PTGDR2 (0.42) PTGDR2PTGDRPTGER2
SCHEMBL9246391 0.71 HTR1A (0.43) SLC6A3LMNA
SCHEMBL6503473 0.71 HTR1A (0.43) SLC6A3LMNA

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
Send feedback