SCHEMBL9213136

SCHEMBL9213136

CCCC[CH]C1=CCCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL791251 0.94 PSMB5 (0.31) ALDH1A1
SCHEMBL60559 0.94 FAAH (0.33) TSHR
SCHEMBL9204392 0.92 TSHR (0.34) TSHRALDH1A1
SCHEMBL9214217 0.92 TSHR (0.34) TSHRALDH1A1
SCHEMBL9210930 0.92 TSHR (0.34) TSHRALDH1A1
SCHEMBL9207844 0.92 TSHR (0.34) TSHRALDH1A1
SCHEMBL62014 0.92 TSHR (0.34) TSHRALDH1A1
SCHEMBL9205178 0.92 TSHR (0.34) TSHRALDH1A1
SCHEMBL9211200 0.89 FAAH (0.33) TSHRALDH1A1
SCHEMBL316395 0.88

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