SCHEMBL8644386

SCHEMBL8644386

CCCc1c(C)ccc(OC(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.38
NOS2 P35228 1/20 0.38
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
PTPN1 P18031 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR5 P32302 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PPARG P37231 1/20 0.33
BLM P54132 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
SCHEMBL8641253 0.92 NCEH1 (0.41) NCEH1PTPN1LMNAKDM4EGLA
SCHEMBL1837311 0.88 NCEH1 (0.44) NCEH1NOS2LDHALDHBPTPN1
SCHEMBL15899350 0.86 PTPN1 (0.32) NCEH1PTPN1LMNAKDM4EGLA
SCHEMBL982414 0.86 PTPN1 (0.37) NCEH1NOS2PTPN1LMNAKDM4E
SCHEMBL5587875 0.85 LDHA (0.41) NCEH1LDHALDHBLMNACYP1A2
SCHEMBL15899240 0.84 KMT2A (0.33) NCEH1PTPN1LMNAKDM4EGLA
SCHEMBL15899244 0.84 RARB (0.39) NCEH1LMNACYSLTR2CYSLTR1
SCHEMBL15899156 0.84 PTPN1 (0.34) NCEH1PTPN1LMNAKDM4EGLA
SCHEMBL15899453 0.82 TSHR (0.34) PTPN1LMNAKDM4EGLAGAA
SCHEMBL1838609 0.80 NCEH1 (0.48) NCEH1LMNAKDM4EHPGDKMT2A

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
EP-0591923-B1 Continuous production of aromatic carbonates DAICEL CHEM (JP) 1998-08-26 EP disclosed
US-5380908-A From alkylaryl carbonates produced from dialkyl carbonates and a phenol, distillation of alcohol DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-10 US disclosed
EP-0591923-A1 Continuous production of aromatic carbonates DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-13 EP disclosed