SCHEMBL5581647

SCHEMBL5581647

Cc1cc(C(C)(C)c2cc(C)c(C(=O)O)c(C)c2)cc(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
ESR1 P03372 1/20 0.41
MAPT P10636 2/20 0.41
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 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
SCHEMBL501930 0.86 RXRB (0.50) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL25207237 0.84 CYP3A4 (0.47) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL4642911 0.83 CYP3A4 (0.50) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL422352 0.79 RXRA (0.51) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL9973268 0.79 KDM4E (0.45) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL11555612 0.77 HSD17B10 (0.56) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL21870 0.77 KDM4E (0.55) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL377596 0.77 KDM4E (0.55) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL900744 0.77 CYP3A4 (0.54) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1
SCHEMBL18896446 0.76 CYP3A4 (0.44) CYP3A4ACHEKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183926-A Process for the preparation of aromatic dicarboxylic acids and aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US claimed
US-20070148480-A1 Laminate TEIJIN LIMITED (JP) 2007-06-28 US disclosed
EP-1698460-A1 MULTILAYER BODY TEIJIN LIMITED (JP) 2006-09-06 EP disclosed
US-20060134407-A1 Adhesive sheet and layered product TEIJIN LIMITED (JP) 2006-06-22 US disclosed
EP-1589086-A1 ADHESIVE SHEET AND LAYERED PRODUCT TEIJIN LIMITED (JP) 2005-10-26 EP disclosed
US-5183926-A Process for the preparation of aromatic dicarboxylic acids and aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
US-5110895-A Lenses, protective coatings, stabilizers of ultraviolet light BAYER AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
EP-0414066-A2 Polyesters and polyestercarbonates BAYER AG (DE) 1991-02-27 EP disclosed
EP-0414062-A2 Process for preparing aromatic dicarboxylic acids and novel aromatic dicarboxylic acids BAYER AG (DE) 1991-02-27 EP disclosed