SCHEMBL8964582

SCHEMBL8964582

CCC(=O)Cc1ccccc1.COCCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LTA4H P09960 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL490151 0.80 ALDH1A1 (0.68) KDM4ELMNAALDH1A1CA12CA7
SCHEMBL43241 0.80 CES1 (0.58) ALDH1A1TDP1L3MBTL1TSHRPOLB
Benzene SCHEMBL27614820 0.80 CES1 (0.58) ALDH1A1TDP1L3MBTL1TSHRPOLB
Dimethylamine SCHEMBL3684568 0.78 CES1 (0.52) TDP1L3MBTL1TSHRPOLBHPGD
Water SCHEMBL27427566 0.78 CES1 (0.56) ALDH1A1TDP1L3MBTL1TSHRPOLB
Benzene SCHEMBL27747096 0.78 CES1 (0.56) ALDH1A1TDP1L3MBTL1TSHRPOLB
SCHEMBL10999568 0.78 CES1 (0.56) ALDH1A1TDP1L3MBTL1TSHRPOLB
Methane SCHEMBL2442457 0.78 CES1 (0.56) ALDH1A1TDP1L3MBTL1TSHRPOLB
SCHEMBL11062372 0.78 LMNA (0.59) KDM4ELMNAALDH1A1CA12CA7
Benzylacetone SCHEMBL8964585 0.77 ALDH1A1 (0.66) KDM4ELMNAALDH1A1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5558971-A HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-24 US disclosed
US-5558976-A HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR, PHOTORESISTS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-24 US disclosed