SCHEMBL4440142

SCHEMBL4440142

COc1c(O)c(O)c(O)c2c1C(=O)c1cc3ccc(C(=O)CO)cc3cc1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CBX7 O95931 1/20 0.34
▸ CDYL2 Q8N8U2 1/20 0.34
▸ CDYL Q9Y232 1/20 0.34
▸ CDY1; CDY1B Q9Y6F8 1/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL17492955 0.79 PIM1 (0.48) PIM1ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL15994159 0.79 MEN1 (0.48) PIM1ALDH1A1KDM4ENPC1MEN1
Hydrochloric Acid SCHEMBL1488003 0.78 PIM1 (0.47) PIM1ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL6269009 0.78 BCL2 (0.50) LCK
SCHEMBL27677355 0.70 PTPRC (0.32) PIM1
SCHEMBL15649811 0.67 PIM1 (0.47) PIM1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL5820517 0.66 PIM1 (0.36) PIM1CYP1A2CYP2C19KDM4E
Hydrochloric Acid SCHEMBL239434 0.66 SMN1; SMN2 (0.45) ALDH1A1HPGDCYP1A2CYP2C19KDM4E
SCHEMBL28656542 0.64 PDE4A (0.55) PIM1ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1448153 0.63 PTPN1 (0.69) ALDH1A1HPGDHSD17B10KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237638-A1 THERAPEUTIC, DIAGNOSTIC AND PROGNOSTIC METHODS FOR CANCER OF THE BLADDER F. Hoffmann-La Roche AG (CH) 2017-11-01 — — EP disclosed
WO-2016105503-A1 THERAPEUTIC, DIAGNOSTIC AND PROGNOSTIC METHODS FOR CANCER OF THE BLADDER GENENTECH, INC. (US) 2016-06-30 — — WO disclosed
EP-2118133-A2 AMELIORATION OF CELLULAR STRESS RESPONSE Genentech, Inc. (US) 2009-11-18 — — EP disclosed
WO-2008109560-A2 AMELIORATION OF CELLULAR STRESS RESPONSE GENENTECH, INC. (US) 2008-09-12 — — WO disclosed
EP-1869070-A2 HGF BETA CHAIN VARIANTS GENENTECH, INC. (US) 2007-12-26 — — EP disclosed
WO-2006113767-A2 HGF BETA CHAIN VARIANTS GENENTECH, INC. (US) 2006-10-26 — — WO disclosed
WO-2006026759-A9 HUMANIZED ANTI-BETA7 ANTAGONISTS AND USES THEREFOR GENENTECH INC (US) 2006-05-18 — — WO disclosed
WO-2006015371-A9 HUMANIZED ANTI-CMET ANTAGONISTS GENENTECH INC (US) 2006-03-30 — — WO disclosed
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