SCHEMBL7595533

SCHEMBL7595533

CC(C)(C)OC(=O)c1cc(Br)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.47
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.39
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ELANE P08246 1/20 0.35

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
SCHEMBL3070779 0.96 NOTUM (0.47) NOTUMCA12CA1CA2CA9
SCHEMBL5093115 0.93 NOTUM (0.42) NOTUMCA12CA1CA2CA9
SCHEMBL1071393 0.93 NOTUM (0.58) NOTUMCA12CA1CA2CA9
SCHEMBL5094521 0.91 NOTUM (0.41) NOTUMCA12CA1CA2CA9
SCHEMBL7058435 0.89 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL16518349 0.89 NOTUM (0.42) NOTUMCA12CA1CA2CA9
SCHEMBL2261292 0.89 CA12 (0.46) NOTUMCA12CA1CA2CA9
SCHEMBL22926373 0.88 NOTUM (0.43) NOTUMCA12CA1CA2CA9
SCHEMBL3058713 0.88 NOTUM (0.46) NOTUMCA12CA1CA2CA9
SCHEMBL20983591 0.87 SLC7A5 (0.43) NOTUMCA12CA1CA2CA9

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
EP-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 — — EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 — — US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 — — EP disclosed
Send feedback