SCHEMBL9212841

SCHEMBL9212841

CCCCCCC=CCCCCCCCNCCC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PPARA Q07869 2/20 0.58
FAAH O00519 2/20 0.58
TRPV1 Q8NER1 2/20 0.58
EPHX1 P07099 1/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
EPHX2 P34913 5/20 0.47

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
SCHEMBL6896933 1.00 TSHR (0.59) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL6903264 1.00 TSHR (0.59) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL20017950 1.00 TSHR (0.59) TSHRALDH1A1PPARAFAAHTRPV1
Ammonia Solution, Strong SCHEMBL962398 0.98 ALDH1A1 (0.56) TSHRALDH1A1PPARAFAAHTRPV1
Dimethylamine SCHEMBL28274363 0.96 PPARA (0.55) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL27307433 0.95 FAAH (0.58) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL19245121 0.95 FAAH (0.58) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL20017953 0.95 PPARA (0.58) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL23117202 0.95 TSHR (0.65) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL9208641 0.95 TSHR (0.65) TSHRALDH1A1PPARAFAAHTRPV1

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