SCHEMBL9575877

SCHEMBL9575877

Cc1ccc(S(=O)(=O)O[C@@H](COCc2ccccc2)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AR P10275 1/20 0.37
MCHR1 Q99705 1/20 0.37
CA9 Q16790 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CA12 O43570 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36

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
SCHEMBL9575873 1.00 LMNA (0.40) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL10761962 0.89 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2MAPTAR
SCHEMBL31586941 0.86 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2MCHR1BCHE
SCHEMBL11153237 0.84 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2MAPTCRHBP
SCHEMBL8346912 0.84 PLA2G2C (0.46) ALDH1A1MCHR1
SCHEMBL8347160 0.84 PLA2G2C (0.46) ALDH1A1MCHR1
SCHEMBL8356122 0.84 PLA2G2C (0.46) ALDH1A1MCHR1
SCHEMBL8352925 0.84 PLA2G2C (0.46) ALDH1A1MCHR1
SCHEMBL8352304 0.84 PLA2G2C (0.46) ALDH1A1MCHR1
SCHEMBL8353598 0.84 PLA2G2C (0.46) ALDH1A1MCHR1

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-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
US-4863941-A PLATELET ACTIVATING FACTOR INHIBITORS, ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed
EP-0147768-B1 GLYCERIN DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-02-08 EP disclosed
EP-0147768-A2 Glycerin derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-10 EP disclosed