SCHEMBL30360798

SCHEMBL30360798

Nc1cccc2c1C(=O)OC21c2ccccc2Oc2ccc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.41
TYMS P04818 2/20 0.41
HPGD P15428 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP2C9 P11712 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRK6 P43250 1/20 0.34
CYP2C19 P33261 2/20 0.33

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
SCHEMBL9672837 0.88 DHFR (0.50) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL691311 0.84 FTO (0.42) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL29486478 0.82 MEN1 (0.49) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL2879470 0.82 MEN1 (0.49) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL4635984 0.79 DHFR (0.59) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL28567595 0.72 MAPT (0.52) TYMSHPGDALDH1A1HSD17B10ALOX15
SCHEMBL546598 0.72 FTO (0.48) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL9313052 0.71 FTO (0.42) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL30639272 0.71 FTO (0.71) DHFRTYMSHPGDALDH1A1HSD17B10
SCHEMBL876011 0.70 MAPT (0.49) DHFRTYMSHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118369124-A Composition for wetness indicator and wetness indicator 汉高股份有限及两合公司 2024-07-19 CN disclosed
CN-116209481-A Composition for wet indicator and wet indicator 汉高股份有限及两合公司 2023-06-02 CN disclosed
CN-116133700-A Composition for wet indicator 汉高股份有限及两合公司 2023-05-16 CN disclosed