SCHEMBL9728243

SCHEMBL9728243

O=C(Cl)CC1COCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FEN1 P39748 1/20 0.32
MAPT P10636 1/20 0.32
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL11090503 0.84 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL20412273 0.82
SCHEMBL322281 0.81 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL323060 0.81 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL323220 0.81 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL12081041 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL1698588 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL9938587 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3ALDH1A1
Water SCHEMBL4817063 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL1512803 0.79 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116832-A Penicillins substituted with heterocyclic oxygen ring SUNTORY LIMITED (JP) 1992-05-26 US disclosed
EP-0273747-A1 Penem derivatives, production and use thereof SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1988-07-06 EP disclosed