SCHEMBL9058758

SCHEMBL9058758

C=CCNOC(=O)C(=C)CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL170039 0.82 TSHR (0.32) KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL1435127 0.80 ALDH1A1 (0.44) KMT2AFAAHALDH1A1TSHRNPSR1
SCHEMBL29163850 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1133058 0.78
SCHEMBL9057655 0.76 KMT2A (0.35) KMT2AFAAHALDH1A1TSHRNPSR1
SCHEMBL28513567 0.76 KMT2A (0.35) KMT2AFAAHALDH1A1TSHRNPSR1
SCHEMBL9058791 0.74 FAAH (0.32) FAAHALDH1A1NPSR1
Propionic Acid SCHEMBL23646926 0.73 FFAR3 (0.39) KMT2AFAAHALDH1A1TSHRNPSR1
SCHEMBL2551378 0.73 ACHE (0.37) TSHR
SCHEMBL3675855 0.73 CYP2D6 (0.34) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996008255-A1 TRANSDERMAL DEVICE FOR DELIVERY OF LEVONORGESTREL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-03-21 WO disclosed