SCHEMBL20680902

SCHEMBL20680902

C=CCOC[C@H](C[N+](C)(C)C)OC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HRH1 P35367 1/20 0.36
TSHR P16473 4/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 4/20 0.33
BLM P54132 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
GALR3 O60755 1/20 0.33
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 4/20 0.31

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
SCHEMBL22160320 1.00 CYP1A2 (0.36) CYP1A2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3952800 0.88 TSHR (0.40) TSHRCA1CA2CA7CA9
SCHEMBL20680903 0.86 MEN1 (0.50) CYP1A2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20681442 0.86 MEN1 (0.50) CYP1A2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1862658 0.83 TSHR (0.37) TSHRCA1CA2CA7CA9
SCHEMBL6338030 0.82 TSHR (0.47) LMNATSHRCA1CA2CA7
SCHEMBL13809182 0.82 TSHR (0.36) TSHRCA1CA2CA7CA9
SCHEMBL26754597 0.81 TSHR (0.35) TSHRCA1CA2CA7CA9
SCHEMBL12113819 0.78 TSHR (0.33) TSHRCA1CA2CA7CA9
SCHEMBL15494302 0.78 TSHR (0.44) TSHRCA1CA2CA7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200224127-A1 DETERGENT FORMULATION CONTAINING MIXED-CHARGE POLYMERS ROHM AND HAAS COMPANY 2020-07-16 US disclosed
EP-3658662-A1 MONOMERIC COUNTERION PAIRS AND MIXED-CHARGE POLYMERS MADE THEREFROM Union Carbide Corporation (US) 2020-06-03 EP disclosed
EP-3658660-A1 MIXED-CHARGE POLYMERS Union Carbide Chemicals & Plastics Technology LLC (US) 2020-06-03 EP disclosed
EP-3658659-A1 DETERGENT FORMULATION CONTAINING MIXED-CHARGE POLYMERS Union Carbide Chemicals & Plastics Technology LLC (US) 2020-06-03 EP disclosed
WO-2019022865-A1 DETERGENT FORMULATION CONTAINING MIXED-CHARGE POLYMERS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed
WO-2019022867-A1 MIXED-CHARGE POLYMERS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed
WO-2019022866-A1 MONOMERIC COUNTERION PAIRS AND MIXED-CHARGE POLYMERS MADE THEREFROM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed