SCHEMBL8660449

SCHEMBL8660449

COC(=O)c1ccc2c(c1)Oc1cc(C(=O)OC)ccc1C2(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
TRPA1 O75762 1/20 0.49
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL8665418 0.94 ALOX5 (0.51) ALOX5TRPA1CA12CA9CA1
SCHEMBL8661934 0.87 ALOX5 (0.56) ALOX5TRPA1CA12CA9CA1
SCHEMBL8661928 0.83 CNR2 (0.44) ALOX5TRPA1ALDH1A1MAPTKDM4E
SCHEMBL17238247 0.83 CA12 (0.51) CA12CA9CA1CA2CA7
SCHEMBL17238252 0.82 ALOX5 (0.52) ALOX5TRPA1CA12CA9CA1
SCHEMBL8661622 0.81 ALOX5 (0.46) ALOX5ALDH1A1MAPK1CYP3A4
SCHEMBL70481 0.80 ALOX5 (0.59) ALOX5TRPA1CA12CA9CA1
SCHEMBL70117 0.80 ALOX5 (0.59) ALOX5TRPA1CA12CA9CA1
SCHEMBL17238261 0.80 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL8662777 0.79 ALOX5 (0.45) ALOX5ALDH1A1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015171709-A1 AMORPHOUS POLYESTER COMPOSITIONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-11-12 WO disclosed
US-20150322200-A1 AMORPHOUS POLYESTER COMPOSITIONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-11-12 US disclosed
EP-0675145-B1 Xanthene polymers and copolymers GEN ELECTRIC (US) 1998-11-18 EP disclosed
US-5504184-A Xanthene polymers, and copolymers, and method for making GENERAL ELECTRIC COMPANY (US) 1996-04-02 US disclosed
US-5466777-A Xanthene polymers, and copolymers, and method for making GENERAL ELECTRIC COMPANY (US) 1995-11-14 US disclosed
EP-0675145-A2 Xanthene polymers and copolymers GENERAL ELECTRIC COMPANY (US) 1995-10-04 EP disclosed
US-5430199-A Method for recovering phenol and xanthene values from bisphenol A tars GENERAL ELECTRIC COMPANY (US) 1995-07-04 US disclosed