SCHEMBL9875150

SCHEMBL9875150

Cc1cc(C(=O)O)c(C(=O)O)c(CC(C)C)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
DHODH Q02127 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
TSHR P16473 2/20 0.35
HMGB1 P09429 1/20 0.35

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
SCHEMBL14989289 0.86 AKR1C2 (0.40) AKR1C2AKR1C1L3MBTL1DHODHGAA
SCHEMBL13518830 0.80 LMNA (0.37) AKR1C2AKR1C1KDM4EL3MBTL1DHODH
SCHEMBL4625704 0.79 ALDH1A1 (0.39) KDM4EL3MBTL1GAAALDH1A1LMNA
SCHEMBL14989288 0.79 AKR1C2 (0.38) AKR1C2AKR1C1KDM4EL3MBTL1DHODH
SCHEMBL11870875 0.79 PTGS1 (0.39) AKR1C2AKR1C1DHODHGAAALDH1A1
Alcohol SCHEMBL10636330 0.79 AKR1C2 (0.39) AKR1C2AKR1C1DHODHGAAPTGS1
SCHEMBL14989241 0.78 PTGS1 (0.43) AKR1C2AKR1C1L3MBTL1DHODHGAA
SCHEMBL9875151 0.77 LMNA (0.37) AKR1C2AKR1C1L3MBTL1DHODHGAA
SCHEMBL6014068 0.77 PTGS1 (0.42) AKR1C2AKR1C1DHODHHPGDALDH1A1
SCHEMBL14989311 0.76 AKR1C2 (0.38) AKR1C2AKR1C1DHODHHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245639-B1 PROCESS FOR THE PREPARATION OF UV-HARDENABLE PIGMENTED COATINGS BAYER AG (DE) 1991-06-19 EP disclosed
EP-0245639-A2 Process for the preparation of UV-hardenable pigmented coatings BAYER AG (DE) 1987-11-19 EP disclosed
EP-0056155-B1 AQUEOUS DISPERSIONS CONTAINING NITROCELLULOSE, POLYESTERS I.E. ALKYD RESINS AND AMINO RESINS, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE MANUFACTURE OF COATINGS BAYER AG (DE) 1983-12-14 EP disclosed
EP-0056155-A1 Aqueous dispersions containing nitrocellulose, polyesters i.e. alkyd resins and amino resins, process for their preparation and their use for the manufacture of coatings BAYER AG (DE) 1982-07-21 EP disclosed