SCHEMBL11259445

SCHEMBL11259445

Cc1ccc(S(=O)(=O)OCCC(C)c2cc(OCc3ccccc3)ccc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIR O00625 1/20 0.43
CYP19A1 P11511 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40

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
SCHEMBL11167180 0.84 AR (0.48) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL11178576 0.83 AR (0.49) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL4057724 0.81 LMNA (0.43) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL23209991 0.81 LMNA (0.48) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL10537261 0.80 AR (0.47) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL23210311 0.80 LMNA (0.44) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL11249323 0.79 MAOB (0.46) LMNACYP1A2CYP2C19KCNH2MCHR1
SCHEMBL1353022 0.78 HTR7 (0.48) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL12856665 0.78 LMNA (0.40) ARLMNACYP1A2CYP3A4MAPT
SCHEMBL31662455 0.77 SCN9A (0.45) ARPIRCYP19A1CA12CA1

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-0009386-B1 2,10-DISUBSTITUTED DIBENZO(B,D)PYRANS AND BENZO(C)QUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1982-11-17 EP disclosed
US-4206225-A ANALGESICS PFIZER INC. (US) 1980-06-03 US disclosed
EP-0009386-A1 2,10-Disubstituted dibenzo(b,d)pyrans and benzo(c)quinolines and pharmaceutical compositions thereof PFIZER INC. (US) 1980-04-02 EP disclosed