SCHEMBL8668939

SCHEMBL8668939

Cc1cc(SSc2cc(C)c(O)c(C)c2)cc(C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
PTGS1 P23219 5/20 0.38
PTGS2 P35354 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALOX5 P09917 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38

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
SCHEMBL13522246 0.92 CA1 (0.48) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL19540361 0.84 CA2 (0.41) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL70958 0.82 CA1 (0.55) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL10888518 0.80 CA1 (0.52) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL4595518 0.79 CYP2C9 (0.61) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL2853760 0.76 CA1 (0.48) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL10696728 0.76 CA1 (0.48) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL13522248 0.75 RAPGEF4 (0.30)
SCHEMBL199921 0.74 CA2 (0.46) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL13522249 0.74 MAPT (0.61) CA1CA2ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017187279-A1 HEALABLE THERMOPLASTIC RESINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-11-02 WO claimed
WO-2017187279-A1 HEALABLE THERMOPLASTIC RESINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-11-02 WO disclosed
WO-2017187279-A1 HEALABLE THERMOPLASTIC RESINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-11-02 WO disclosed
US-5760111-A TEXTILE STABILIZERS WITH PHOTOSTABILIZERS, OXIDATION OR HEAT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-06-02 US disclosed
US-5591850-A STABILIZERS FOR TEXTILE FIBERS, COSMETIC SUNSCREENS CIBA-GEIGY CORPORATION (US) 1997-01-07 US disclosed