SCHEMBL8526776

SCHEMBL8526776

CC(C)(C)c1ccc2ccccc2c1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
WDR5 P61964 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
NCEH1 Q6PIU2 4/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL8526770 0.89 KCNJ11 (0.42) HSD17B10ALDH1A1KDM4ECYP1A1CYP1B1
SCHEMBL8037393 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4ECYP1B1ABCC9
SCHEMBL7942009 0.78 TSHR (0.47) HSD17B10ALDH1A1KDM4ECYP1A1CYP1B1
SCHEMBL26522382 0.78 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4ECYP1A1CYP1B1
SCHEMBL2977527 0.77 CA2 (0.46) ALDH1A1ATMTDP1GAA
SCHEMBL8685474 0.76 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EWDR5CYP2C9
SCHEMBL7068984 0.76 NCEH1 (0.45) HSD17B10ALDH1A1KDM4EWDR5HPGD
Hydrochloric Acid SCHEMBL11843994 0.75 CA2 (0.45) ALDH1A1ATMTDP1GAA
SCHEMBL974719 0.75 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EWDR5ABCC9
SCHEMBL8153278 0.75 CYP2A6 (0.47) HSD17B10ALDH1A1KDM4ECYP1A1CYP1B1

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-0249139-B2 Resist compositions and use MICROSI INC (US) 1998-03-11 EP disclosed
US-5362607-A Photo-patternable in absence of moisture; treating substrate with positive resist composition, baking, irradiating resist in patterned way, heating, developing; resist of water-soluble phenolic resin, tertiary butyl compound, aryl onium salt MICROSI, INC. (US) 1994-11-08 US disclosed
US-5310619-A Resist compositions comprising a phenolic resin, an acid forming onium salt and a tert-butyl ester or tert-butyl carbonate which is acid-cleavable MICROSI, INC. (US) 1994-05-10 US disclosed
EP-0249139-A2 Resist compositions and use MicroSi, Inc. (a Delaware corporation) (US) 1987-12-16 EP disclosed