SCHEMBL6064332

SCHEMBL6064332

C=CCOC(=O)C(C)CN=NCC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 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
SCHEMBL3937560 0.78 ALDH1A1 (0.36) CYP3A4GABRR1CYP1A2
SCHEMBL541691 0.77 GABRR1 (0.46) GABRR1CYP1A2
SCHEMBL1702254 0.76 GABRR1 (0.35) GABRR1CYP1A2
SCHEMBL11359853 0.76 ENPEP (0.32) GABRR1
SCHEMBL7199378 0.74 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL1289265 0.74 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL9283778 0.74 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL3459899 0.74 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL440465 0.74 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL11213886 0.74 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B

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
US-7060751-B2 Graft polymers based on ethylene/α-olefin rubbers and process for their production BAYER AKTIENGESELLSCHAFT (DE) 2006-06-13 US disclosed
US-20040127642-A1 Graft polymers based on ethylene/alpha-olefin rubbers and process for their production LANXESS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
US-20040030071-A1 Method for polymerizing conjugated diolefins (dienes) with catalysts of rare earths in the presence of vinyl aromatic solvents BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6417256-B1 AROMATIC POLYCARBONATES OR POLYCARBONATEESTER COPOLYMERS FOR THERMOPLASTIC MOLDINGS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed