SCHEMBL11095075

SCHEMBL11095075

CC(C)c1ccc(OOc2ccccc2)c(OOc2ccccc2)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9407313 0.79 CYP1A2 (0.42) CA4MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10338244 0.75 MAPT (0.41) KMT2AALDH1A1
SCHEMBL9624792 0.75 MAPK1 (0.44) ALDH1A1
SCHEMBL547821 0.73 CA1 (0.38) CYP1A2CYP3A4LMNAGABRA1GABRB2
SCHEMBL29386690 0.72
SCHEMBL48160 0.72
SCHEMBL16553325 0.71
SCHEMBL7983118 0.69 CA1 (0.30)
SCHEMBL5697268 0.69 KMT2A (0.35) KMT2ALMNALTA4HALDH1A1
SCHEMBL10799799 0.68 SLC6A4 (0.42) MEN1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4483784-A SIZING COMPOSITION WITH EMULSIFIERS AND LUBRICANTS PPG INDUSTRIES, INC. (US) 1984-11-20 US disclosed
US-4377498-A Aqueous peroxide emulsion for use with glass fibers PPG INDUSTRIES, INC. (US) 1983-03-22 US disclosed