SCHEMBL6866417

SCHEMBL6866417

O=C(O)c1ccc(Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.58
CTSB P07858 1/20 0.58
MMP9 P14780 1/20 0.58
DNMT1 P26358 1/20 0.58
DNMT3B Q9UBC3 1/20 0.58
DNMT3L Q9UJW3 1/20 0.58
DNMT3A Q9Y6K1 1/20 0.58
CDC25B P30305 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CASP6 P55212 1/20 0.56
RCE1 Q9Y256 1/20 0.56
TSHR P16473 2/20 0.56
HNF4A P41235 1/20 0.56
SRD5A2 P31213 3/20 0.53
CDC25A P30304 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
FOLH1 Q04609 2/20 0.50

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
SCHEMBL2117125 0.92 KLKB1 (0.67) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL29365057 0.90 KLKB1 (0.69) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL21621 0.90 KLKB1 (0.69) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5553313 0.88 KLKB1 (0.67) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL4521510 0.86 HNF4A (0.73) KLKB1CTSBMMP9DNMT1DNMT3B
Ethylene SCHEMBL28295970 0.86 KLKB1 (0.64) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL19413941 0.85 SRD5A2 (0.59) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL17262661 0.85 LCK (0.53) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL11420115 0.84 FOLH1 (0.56) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL68390 0.83 SRD5A2 (0.69) ALDH1A1TSHRSRD5A2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183835-A Salts of a basic nitrogenous compound as stabilizers for neutralized polyamide-acid resin NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-01-15 US claimed
US-6808766-B1 ALIGNMENT AGENT COMPRISING POLYURETHANE OR POLYUREA, USED IN ALIGNMENT OF LIQUID CRYSTAL MOLECULES THAT FORM LIQUID CRYSTAL ALIGNMENT FILM BY IRRADIATING THIN ALIGNMENT FILM FORMED ON SUBSTRATE WITH POLARIZED LIGHT OR ELECTRON RAYS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 US disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed
US-4183835-A Salts of a basic nitrogenous compound as stabilizers for neutralized polyamide-acid resin NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-01-15 US disclosed