SCHEMBL9208641

SCHEMBL9208641

CCCCCCC=CCCCCCNCCCCC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.65
FAAH O00519 2/20 0.62
TRPV1 Q8NER1 2/20 0.62
PPARA Q07869 2/20 0.57
EPHX1 P07099 1/20 0.52
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH4 P08319 1/20 0.52
ADH7 P40394 1/20 0.52
EPHX2 P34913 6/20 0.50

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
SCHEMBL9480001 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL518802 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL6677501 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL519455 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL11786437 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL23117202 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL518800 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL554166 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL22063916 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA
SCHEMBL296807 1.00 TSHR (0.65) TSHRALDH1A1FAAHTRPV1PPARA

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