SCHEMBL12886458

SCHEMBL12886458

CCCCCCNCC(O)COCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.48
LPAR5 Q9H1C0 2/20 0.47
CASR P41180 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SPHK1 Q9NYA1 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
PLA2G2C Q5R387 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.38
EPHX1 P07099 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38

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
SCHEMBL20123849 0.90 USP2 (0.49) USP2HTTKDM4ELPAR5CASR
SCHEMBL15393759 0.90 USP2 (0.61) USP2HTTKDM4ELPAR5CASR
SCHEMBL21019381 0.90 USP2 (0.61) USP2HTTKDM4ELPAR5CASR
SCHEMBL8453588 0.89 USP2 (0.60) USP2HTTKDM4ELPAR5CASR
SCHEMBL8578597 0.87 USP2 (0.54) USP2HTTKDM4ELPAR5CASR
SCHEMBL8578527 0.87 USP2 (0.54) USP2HTTKDM4ELPAR5CASR
SCHEMBL8575992 0.87 USP2 (0.54) USP2HTTKDM4ELPAR5CASR
SCHEMBL8578443 0.87 USP2 (0.54) USP2HTTKDM4ELPAR5CASR
SCHEMBL8578447 0.87 KDM4E (0.49) USP2HTTKDM4ELPAR5CASR
SCHEMBL12761111 0.87 HTT (0.51) USP2HTTKDM4ELPAR5CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513333-B2 Reactive surface-modified particles MERCK PATENT GMBH (DE) 2013-08-20 US disclosed
US-20110039990-A1 REACTIVE SURFACE-MODIFIED PARTICLES MERCK PATENT GESELLSCHAFT (DE) 2011-02-17 US disclosed