SCHEMBL9831396

SCHEMBL9831396

CC(C)(C)c1cc(C(=O)Nc2cc(N)ccc2O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
SNCA P37840 1/20 0.46
KCNMA1 Q12791 4/20 0.43
NR1H4 Q96RI1 2/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TOP1 P11387 1/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
SYK P43405 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 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
SCHEMBL3661171 0.81 TOP1 (0.57) KCNMA1MAPTGAAALDH1A1TDP1
SCHEMBL4319185 0.81 SNCA (0.65) SNCANR1H4MAPTGAAALDH1A1
SCHEMBL18360223 0.80 HDAC1 (0.57) HDAC1KCNMA1MAPTCYP1A2CYP2C9
SCHEMBL8777865 0.79 HDAC1 (0.58) HDAC1TOP1TOP2ATOP2BMAPK1
SCHEMBL2605585 0.79 HDAC1 (0.70) HDAC1SNCAKCNMA1MAPTCYP1A2
SCHEMBL7129217 0.78 PTGS1 (0.57) SNCANR1H4MAPTGAAALDH1A1
SCHEMBL2605584 0.76 HDAC1 (0.68) HDAC1KCNMA1MAPTCYP1A2CYP2C9
SCHEMBL19986271 0.76 HDAC1 (0.52) HDAC1KCNMA1MAPTCYP1A2CYP2C9
SCHEMBL14088959 0.75 HDAC1 (0.74) HDAC1KCNMA1MAPTCYP1A2CYP2C9
SCHEMBL29999394 0.75 MEN1 (0.56) HDAC1SNCAKCNMA1MAPTGAA

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-0283035-B1 BENZOXAZOLE DERIVATIVES AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1991-11-06 EP disclosed
US-4948900-A INTERMEDIATES FOR DIABETES THERAPEUTIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
US-4897393-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-01-30 US disclosed
EP-0283035-A1 Benzoxazole derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 EP disclosed