SCHEMBL7962067

SCHEMBL7962067

COCCOCOc1cc(C(O)C(=O)O)cc(Cl)c1OCOCCOC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARG P13631 4/20 0.40
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
REN P00797 2/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL7962141 0.86 BLM (0.37) RARGBLMNPSR1TSHRREN
SCHEMBL7962519 0.83 HPGD (0.38) RARGBLMNPSR1TSHRF2
SCHEMBL7951445 0.77 THRB (0.43) RARGTSHRF2ELANEALDH1A1
SCHEMBL7962776 0.77 FABP4 (0.38) RARGBLMNPSR1F2ELANE
SCHEMBL7962063 0.76 F2 (0.46) RARGTSHRF2ELANEKDM4E
SCHEMBL8134003 0.76 RARG (0.38) RARGF2ELANEKDM4EALDH1A1
SCHEMBL8127189 0.74 STING1 (0.44) RARGNPSR1F2ELANEKDM4E
SCHEMBL7951484 0.73 FABP4 (0.50) RARGF2ELANEKDM4EALDH1A1
SCHEMBL7964208 0.73 RARG (0.36) RARGKDM4EALDH1A1GAARARA
SCHEMBL8132737 0.72 RARG (0.38) RARGF2ELANEKDM4ELMNA

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-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed