SCHEMBL9361024

SCHEMBL9361024

COCCOCOc1ccc(C(=O)OC)cc1OCOCCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.44
RARG P13631 3/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
CTNNB1 P35222 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL1055820 0.88 MAPT (0.54) MAPTTP53RAB9ACYP1A2CYP3A4
SCHEMBL9360552 0.87 ALDH1A1 (0.50) MAPTTP53RAB9ARARGRARA
SCHEMBL25288063 0.87 TSHR (0.55) RAB9ARARGRARARARBCA12
SCHEMBL31383719 0.87 TSHR (0.55) RAB9ARARGRARARARBCA12
SCHEMBL8916182 0.84 VCAM1 (0.45) MAPTRAB9ARARGRARARARB
SCHEMBL1015775 0.82 MAPT (0.62) MAPTTP53RAB9ACYP1A2CYP3A4
SCHEMBL1013052 0.82 MAPT (0.62) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL1503528 0.81 MAPT (0.69) MAPTRAB9ASMN1; SMN2KMT2ACTNNB1
SCHEMBL18456830 0.80 MAPT (0.64) MAPTRAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL7441874 0.80 KMT2A (0.48) MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 EP disclosed
EP-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 EP disclosed