SCHEMBL9205985

SCHEMBL9205985

CCCCCC=CCNCCCCC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.58
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
PPARA Q07869 2/20 0.48

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
SCHEMBL29077674 0.98 KDM1A (0.61) KDM1AALDH1A1TSHRFAAHTRPV1
SCHEMBL24131906 0.91 KDM1A (0.58) KDM1AALDH1A1TSHRFAAHTRPV1
SCHEMBL11403842 0.89 KDM1A (0.61) KDM1AALDH1A1TSHRFAAHTRPV1
SCHEMBL9213042 0.89 KDM1A (0.61) KDM1AALDH1A1TSHRFAAHTRPV1
SCHEMBL8760217 0.89 KDM1A (0.52) KDM1AFAAHTRPV1PPARA
SCHEMBL28301261 0.87 ALDH1A1 (0.55) KDM1AALDH1A1TSHRFAAHTRPV1
SCHEMBL7037260 0.86 PPARA (0.50) KDM1AALDH1A1TSHRFAAHTRPV1
SCHEMBL626305 0.86 FAAH (0.62) TSHRFAAHTRPV1PPARA
SCHEMBL11786437 0.86 TSHR (0.65) ALDH1A1TSHRFAAHTRPV1PPARA
SCHEMBL22063916 0.86 TSHR (0.65) ALDH1A1TSHRFAAHTRPV1PPARA

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