SCHEMBL20923486

SCHEMBL20923486

O=C(Oc1ccccc1-n1nc2ccccc2n1)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALOX15 P16050 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Phenyl Salicylate SCHEMBL28140255 0.83 HPGD (0.65) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL2228926 0.77 NPC1 (0.71) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL3635482 0.76 HPGD (0.76) ALDH1A1HPGDHSD17B10KDM4EALOX15
Salicylic Acid SCHEMBL20923488 0.76 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL27691546 0.74 NPC1 (0.48) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL10686808 0.73 HSD17B10 (0.71) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL29363181 0.72 RAB9A (0.61) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL59309 0.72 RAB9A (0.61) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL7038760 0.72 HSD17B10 (0.74) ALDH1A1HPGDHSD17B10KDM4EALOX15
Salsalate SCHEMBL15562 0.72 HSD17B10 (1.00) ALDH1A1HPGDHSD17B10KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111194324-A Trans, trans-diketoxime ester isomer and its preparing method and use 北京英力科技发展有限公司 2020-05-22 CN disclosed
WO-2019076145-A1 TRANS, TRANS-DIKETONE OXIME ESTER ISOMER, MANUFACTURING METHOD THEREFOR AND APPLICATION THEREOF 北京英力科技发展有限公司 2019-04-25 WO disclosed
CN-109666088-A A kind of diketone oxime ester compound and its manufacturing method and application 北京英力科技发展有限公司 2019-04-23 CN disclosed
CN-104910053-B Asymmetric two oxime ester compound and its manufacture method and application 北京英力科技发展有限公司 2017-09-12 CN disclosed
CN-103387765-B Photosensitive composition for solder resist printing ink or photoresist INSIGHT HIGH TECHNOLOGY BEIJING CO LTD 2014-12-24 CN disclosed
CN-103387765-A Photosensitive composition for solder resist printing ink or photoresist BEIJING INSIGHT HIGH TECHNOLOGY CO LTD 2013-11-13 CN disclosed