SCHEMBL8736372

SCHEMBL8736372

C=C(CCOC(=O)C(=C)CCN(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
DNM1 Q05193 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRB P10828 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
SCHEMBL27545231 0.85 CHRM1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL2833014 0.83 DNM1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL30785151 0.83 TET2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL22345 0.83 TET2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL28239546 0.82 DNM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL5830558 0.82 KDM4A (0.37) DNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1155810 0.81 KDM4A (0.37)
Ammonia Solution, Strong SCHEMBL9070321 0.81 TET2 (0.35)
SCHEMBL9450859 0.80 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL29201280 0.80 CYP2D6 (0.32) CHRM2CHRM4CHRM5CHRM1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722763-B2 PLASTER THAT REDUCES SKIN IRRITATION GRUENENTHAL GMBH (DE) 2018-08-01 EP disclosed
EP-1722763-B1 PLASTER THAT REDUCES SKIN IRRITATION GRUENENTHAL GMBH (DE) 2015-04-29 EP disclosed
EP-0711807-B1 Thermoplastic moulding compositions with a mat aspect BASF AG (DE) 1998-04-01 EP disclosed
EP-0711807-A1 Thermoplastic moulding compositions with a mat aspect BASF AKTIENGESELLSCHAFT (DE) 1996-05-15 EP disclosed