SCHEMBL9205178

SCHEMBL9205178

CCCCCC[CH]C1=CCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
FAAH O00519 3/20 0.33
MGLL Q99685 2/20 0.33
CCR5 P51681 8/20 0.31
TRPV1 Q8NER1 1/20 0.31
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
SCHEMBL9210930 1.00 TSHR (0.34) TSHRFAAHMGLLCCR5TRPV1
SCHEMBL9204392 1.00 TSHR (0.34) TSHRFAAHMGLLCCR5TRPV1
SCHEMBL9207844 1.00 TSHR (0.34) TSHRFAAHMGLLCCR5TRPV1
SCHEMBL9214217 1.00 TSHR (0.34) TSHRFAAHMGLLCCR5TRPV1
SCHEMBL62014 1.00 TSHR (0.34) TSHRFAAHMGLLCCR5TRPV1
SCHEMBL60559 0.98 FAAH (0.33) TSHRFAAHMGLL
SCHEMBL61668 0.95 TSHR (0.33) TSHRFAAHMGLLCCR5TRPV1
SCHEMBL9211200 0.93 FAAH (0.33) TSHRFAAHMGLLALDH1A1
SCHEMBL9213136 0.92 TSHR (0.30) TSHRALDH1A1
SCHEMBL791251 0.87 PSMB5 (0.31) ALDH1A1

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