SCHEMBL9329708

SCHEMBL9329708

CC(C)(O)C(=O)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CA2 P00918 1/20 0.39
MLYCD O95822 4/20 0.35
SRC P12931 1/20 0.34
HDAC1 Q13547 1/20 0.33
POLB P06746 1/20 0.33
SRD5A2 P31213 1/20 0.32
CES1 P23141 3/20 0.32
TSHR P16473 2/20 0.32
ELANE P08246 1/20 0.31
CES2 O00748 2/20 0.31
LMNA P02545 1/20 0.31
FASN P49327 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11298330 0.88 CA2 (0.46) ALDH1A1CA2MLYCDSRCHDAC1
SCHEMBL9177579 0.84 ALDH1A1 (0.43) ALDH1A1CA2MLYCDHDAC1POLB
SCHEMBL194732 0.82 CES2 (0.52) ALDH1A1CA2POLBSRD5A2CES1
SCHEMBL15251658 0.81 RXRA (0.44) CA2MLYCDFASNSMN1; SMN2
SCHEMBL4419639 0.81 ALDH1A1 (0.50) ALDH1A1CA2SRD5A2ELANELMNA
SCHEMBL10943093 0.81 CES2 (0.50) CA2CES1CES2
SCHEMBL10701118 0.79 CA2 (0.41) ALDH1A1CA2MLYCDSRCHDAC1
SCHEMBL129749 0.79 ESR1 (0.50) CA2SRD5A2TSHRELANECES2
SCHEMBL14845141 0.79 TSHR (0.57) ALDH1A1CA2SRD5A2CES1TSHR
SCHEMBL195231 0.79 CA2 (0.61) ALDH1A1CA2HDAC1SRD5A2CES1

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
EP-0377191-B1 Radiation-sensitive ethylenically unsaturated copolymerisable compounds, and process for their preparation BASF AG (DE) 1994-03-23 EP disclosed
US-5292915-A Emulsifier BASF AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5248805-A Radiation-senstive, ethylenically unsaturated, copolymerizable compounds and their preparation BASF AKTIENGESELLSCHAFT (DE) 1993-09-28 US disclosed
EP-0499836-A2 Carbonate and carbonyl-containing compounds, their preparation and applications BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
EP-0377191-A2 Radiation-sensitive ethylenically unsaturated copolymerisable compounds, and process for their preparation BASF Aktiengesellschaft (DE) 1990-07-11 EP disclosed