SCHEMBL6870968

SCHEMBL6870968

COC(=O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
TSHR P16473 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
PTGS2 P35354 1/20 0.42
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10605487 0.88 EGFR (0.50) EGFRTSHRCA1CA2CA12
SCHEMBL10787325 0.84 FOLH1 (0.47) TSHRCYP2C9ATMHSD17B10RAB9A
SCHEMBL10600277 0.82 TSHR (0.53) EGFRTSHRCA1CA2CA12
SCHEMBL10600232 0.82 LMNA (0.50) TSHRTDP1SMN1; SMN2KDM4ECYP1A2
SCHEMBL6884345 0.82 SMN1; SMN2 (0.62) CA1CA2SMN1; SMN2KDM4ECYP1A2
SCHEMBL9345442 0.80 SMN1; SMN2 (0.46) PTGS2SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL28503156 0.79 EGFR (0.52) EGFRTSHRCA1CA2CA12
SCHEMBL10344351 0.79 KMT2A (0.54) TDP1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL21486 0.77 HNF4A (0.52) TDP1PTPN1KDM4EALDH1A1MAPT
SCHEMBL28956464 0.77 EGFR (0.54) EGFRTSHRCA1CA2CA12

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
US-6720287-B2 WHEN AN AROMATIC DICARBOXYLATE IS ENCAPSULATEDTOGETHER WITH THE DIAZONIUM SALT COMPOUND, GENERATION OF PHOTODECOMPOSITION STAIN IS REDUCED AND SHELF LIFE IS IMPROVED FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030045426-A1 Heat sensitive recording material and microcapsule solution FUJI PHOTO FILM CO., LTD. 2003-03-06 US disclosed
EP-0181404-B1 PHTHALATE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-02-07 EP disclosed
EP-0168819-B1 THERMOSENSITIVE RECORDING SHEET JUJO PAPER CO., LTD. (JP) 1989-05-03 EP disclosed
US-4695649-A PESTICIDES, PLASTICIZERS, BISP-BENZYLOXY-CARBONYLPHENYL ISOPHTHALATE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-09-22 US disclosed
US-4628336-A POLYPHENYL ESTERS; SOIL RESISTANCE; IMAGE STABILITY JUJO PAPER CO., LTD. (JP) 1986-12-09 US disclosed
EP-0168819-A2 Thermosensitive recording sheet JUJO PAPER CO., LTD. (JP) 1986-01-22 EP disclosed