SCHEMBL8580541

SCHEMBL8580541

CC(C(=O)O)=C(N)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
TET2 Q6N021 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL5693543 0.83 TDP1 (0.33) KDM4ELMNAALOX15BLMPMP22
SCHEMBL5693538 0.83 TDP1 (0.33) KDM4ELMNAALOX15BLMPMP22
SCHEMBL10702902 0.77
SCHEMBL3080795 0.75 HMGCR (0.36) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL9240784 0.73 FNTA (0.43) KDM4EHMGCRCHRM1TBXA2RADRA1A
Chloromethane SCHEMBL1802806 0.73 TDP1 (0.36) LMNAALOX15BLMPMP22LDHA
SCHEMBL5693468 0.73
SCHEMBL2352272 0.72
SCHEMBL20991872 0.72
SCHEMBL127940 0.72

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-0068225-B1 USE OF WATER-SOLUBLE POLYMERS OF DI-C1-C3 ALKYL-AMINO-NEOPENTYL-(METH)ACRYLATES AS RETENTION, DEWATERING AND FLOCCULATING AGENTS BASF Aktiengesellschaft (DE) 1985-11-27 EP claimed
WO-1998016308-A1 COMPOSITE MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed
EP-0276464-A2 Process for preparing hydrosoluble copolymers of maleic acid, and their use as water-treating agents BASF Aktiengesellschaft (DE) 1988-08-03 EP disclosed
EP-0068225-B1 USE OF WATER-SOLUBLE POLYMERS OF DI-C1-C3 ALKYL-AMINO-NEOPENTYL-(METH)ACRYLATES AS RETENTION, DEWATERING AND FLOCCULATING AGENTS BASF Aktiengesellschaft (DE) 1985-11-27 EP disclosed