SCHEMBL7824970

SCHEMBL7824970

CCOC(=O)COc1cc(C(=O)O)c(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 1.00
▸ CASP7 P55210 1/20 1.00
▸ CASP9 P55211 1/20 1.00
▸ ABCB1 P08183 1/20 0.49
▸ HPGD P15428 5/20 0.48
▸ HMGB1 P09429 1/20 0.48
▸ CXCL12 P48061 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ATIC P31939 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL7826675 0.86 CASP3 (0.76) CASP3CASP7CASP9HPGDHMGB1
SCHEMBL11504814 0.86 CASP3 (0.75) CASP3CASP7CASP9HPGDHMGB1
SCHEMBL9020291 0.83 CASP3 (0.71) CASP3CASP7CASP9HPGDHMGB1
SCHEMBL11717986 0.80 CASP3 (0.66) CASP3CASP7CASP9HPGDHMGB1
SCHEMBL9713678 0.79 ABCB1 (0.68) CASP3CASP7CASP9ABCB1HPGD
SCHEMBL11483617 0.78 CASP3 (0.64) CASP3CASP7CASP9HPGDHMGB1
SCHEMBL10420445 0.77 CASP3 (0.63) CASP3CASP7CASP9THRBCYP2C9
SCHEMBL10420777 0.77 CASP3 (0.63) CASP3CASP7CASP9THRBCYP2C9
SCHEMBL10899810 0.77 CASP3 (0.63) CASP3CASP7CASP9THRBCYP2C9
SCHEMBL11171955 0.77 CASP3 (0.62) CASP3CASP7CASP9HPGDCYP2C9

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
US-4390618-A HYDRAZINE DERIVATIVES AS DEVELOPMENT ACCELERATORS FUJI PHOTO FILM CO., LTD. (JP) 1983-06-28 — — US disclosed
US-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 — — US disclosed
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