SCHEMBL7962775

SCHEMBL7962775

COCCOCOc1ccc(OCC(=O)O)c(Cl)c1OCOCCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
ELANE P08246 1/20 0.49
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC3 O15438 1/20 0.42
PLIN1 O60240 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GSTA1 P08263 1/20 0.42
GSTP1 P09211 1/20 0.42
HSPD1 P10809 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
MAP2K6 P52564 1/20 0.42
HSPE1 P61604 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
SCHEMBL7951479 0.85 SMN1; SMN2 (0.50) F2ELANEALDH1A1MAPTKMT2A
SCHEMBL7959705 0.83 F2 (0.41) F2ELANEALDH1A1KDM4EHSD17B10
SCHEMBL8127905 0.83 PTPN1 (0.44) F2ELANEKMT2AMEN1TDP1
SCHEMBL7962553 0.81 RARG (0.36) F2ELANECYP2C9HIF1ARARG
SCHEMBL7962550 0.81 PTPN1 (0.36) F2ELANERARGRARARARB
SCHEMBL8134415 0.79 RARG (0.35) F2ELANEALDH1A1LMNARECQL
SCHEMBL7962776 0.79 FABP4 (0.38) F2ELANENPSR1RARGRARA
SCHEMBL7962063 0.78 F2 (0.46) F2ELANETSHRKMT2ALMNA
SCHEMBL8129031 0.76 F2 (0.36) F2ELANEALDH1A1TSHRKDM4E
SCHEMBL7961321 0.76 ALDH1A1 (0.36) F2ELANEALDH1A1MAPTCYP2C9

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