SCHEMBL11031468

SCHEMBL11031468

C=CCOCC(O)CN[C@@H](CCSC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.34
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 2/20 0.34
SLC22A1 O15245 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
RNPEP Q9H4A4 1/20 0.33

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
SCHEMBL11031465 1.00 CA1 (0.39) CA1CA2CA7LMNAALDH1A1
SCHEMBL11149710 0.80 CA1 (0.44) CA1CA2CA7LMNAKDM4E
SCHEMBL11149704 0.80 CA1 (0.44) CA1CA2CA7LMNAKDM4E
SCHEMBL11032343 0.79 CA1 (0.38) CA1CA2CA7LMNACYP2D6
SCHEMBL11032340 0.79 CA1 (0.38) CA1CA2CA7LMNACYP2D6
SCHEMBL11032334 0.79 CA1 (0.38) CA1CA2CA7LMNACYP2D6
SCHEMBL8979432 0.76 CA1 (0.46) CA1CA2CA7LMNACYP2D6
SCHEMBL8979435 0.76 CA1 (0.46) CA1CA2CA7LMNACYP2D6
Acrylic Acid SCHEMBL1874676 0.76 LMNA (0.39) CA1CA2LMNAALDH1A1KDM4E
SCHEMBL6010243 0.76 LMNA (0.46) CA1CA2LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4468493-A High solid coating composition containing novel microparticles of crosslinked copolymer containing amphoionic groups NIPPON PAINT CO., LTD. (JP) 1984-08-28 US disclosed
US-4403065-A CARBOXY OR SULFONATE AMINE AND OTHER MONOMER NIPPON PAINT CO., LTD. (JP) 1983-09-06 US disclosed
US-4309327-A COATINGS, PIGMENT PASTES NIPPON PAINT CO., LTD. (JP) 1982-01-05 US disclosed