SCHEMBL27424971

SCHEMBL27424971

CCOC(=O)c1cccc(C(=O)OC)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.62
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.61
CFTR P13569 1/20 0.53
CDC25B P30305 6/20 0.52
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CDC25A P30304 1/20 0.49
CDC25C P30307 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL27424975 0.93 TSHR (0.70) HSD17B10ALDH1A1TSHRCDC25BKDM4E
Ether SCHEMBL5903649 0.88 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRCFTRKDM4E
SCHEMBL2895994 0.87 ALDH1A1 (0.67) HSD17B10ALDH1A1TSHRCFTRKDM4E
SCHEMBL13816768 0.86 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRCDC25BKDM4E
SCHEMBL20763779 0.86 TSHR (0.66) HSD17B10ALDH1A1TSHRCDC25BKDM4E
SCHEMBL495814 0.85 TSHR (0.84) HSD17B10ALDH1A1TSHRCFTRCDC25B
Diethyl Phthalate SCHEMBL2173730 0.85 TSHR (0.84) HSD17B10ALDH1A1TSHRCFTRCDC25B
SCHEMBL27508673 0.85 ALDH1A1 (0.60) HSD17B10ALDH1A1TSHRCDC25BKDM4E
SCHEMBL5808886 0.84 ALDH1A1 (0.64) HSD17B10ALDH1A1TSHRCDC25BHPGD
SCHEMBL2925689 0.84 ALDH1A1 (0.74) HSD17B10ALDH1A1TSHRCFTRCDC25B

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
CN-1111152-C method for producing aromatic carbonates ASAHI CHEMICAL IND (JP) 2003-06-11 CN disclosed
CN-1265641-A method for producing aromatic carbonates ASAHI CHEMICAL IND (JP) 2000-09-06 CN disclosed