SCHEMBL9206591

SCHEMBL9206591

CCCCC=CCNCC=CCCCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
TSHR P16473 3/20 0.46
KDM1A O60341 5/20 0.44
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL626305 0.90 FAAH (0.62) FAAHTRPV1TSHRF7F3
SCHEMBL626306 0.90 FAAH (0.62) FAAHTRPV1TSHRF7F3
SCHEMBL431732 0.82 KDM1A (0.42) FAAHTRPV1TSHRKDM1AALDH1A1
SCHEMBL431733 0.82 KDM1A (0.42) FAAHTRPV1TSHRKDM1AALDH1A1
SCHEMBL23566850 0.82 FAAH (0.55) FAAHTRPV1TSHRF7F3
SCHEMBL93117 0.82 FAAH (0.55) FAAHTRPV1TSHRF7F3
SCHEMBL93116 0.82 FAAH (0.55) FAAHTRPV1TSHRF7F3
SCHEMBL9133782 0.82 FAAH (0.55) FAAHTRPV1TSHRF7F3
SCHEMBL17262056 0.82 FAAH (0.55) FAAHTRPV1TSHRF7F3
SCHEMBL9133779 0.82 FAAH (0.55) FAAHTRPV1TSHRF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed