SCHEMBL6859656

SCHEMBL6859656

COc1cc(C(=O)O)ccc1Cc1ccc(C(=O)O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA4 P22748 2/20 0.67
CA6 P23280 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
CA14 Q9ULX7 2/20 0.67
TPMT P51580 1/20 0.67
HTT P42858 2/20 0.62
TSHR P16473 2/20 0.60
PLA2G4A P47712 11/20 0.59
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
TTR P02766 1/20 0.54
LTB4R Q15722 3/20 0.54
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
CA5A P35218 1/20 0.53

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
SCHEMBL2592749 0.89 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL2424457 0.87 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL14366059 0.86 ALDH1A1 (0.54) CA12CA1CA2CA4CA6
SCHEMBL30143532 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL9516446 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL1251597 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL18280405 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL9428447 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL2784039 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL16533333 0.85 CA12 (0.57) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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