SCHEMBL8022086

SCHEMBL8022086

CCC(C(=O)O)N1C=C(C(=O)OC)C(c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.50
▸ ALDH1A1 P00352 10/20 0.50
▸ HPGD P15428 8/20 0.50
▸ HSD17B10 Q99714 6/20 0.50
▸ TDP1 Q9NUW8 6/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ADORA3 P0DMS8 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ABCC4 O15439 2/20 0.50
▸ CACNA1F O60840 2/20 0.50
▸ ABCB11 O95342 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ SCN1A P35498 2/20 0.50

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
SCHEMBL8022081 0.91 CACNA1D (0.46) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1673055 0.86 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL6833256 0.82 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL29446574 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1357406 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL30186935 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1720223 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1719572 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL30849083 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL8024415 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10TDP1

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
US-6132930-A Negative photoresist composition NITTO DENKO CORPORATION (JP) 2000-10-17 — — US disclosed
US-6048663-A HEAT RESISTANCE NEGATIVE PATTERN PHOTORESIST COATING NITTO DENKO CORPORATION (JP) 2000-04-11 — — US disclosed
EP-0990949-A1 Negative photoresist composition NITTO DENKO CORPORATION (JP) 2000-04-05 — — EP disclosed
EP-0917001-A1 NEGATIVE PHOTORESIST COMPOSITIONS AND USE THEREOF NITTO DENKO CORPORATION (JP) 1999-05-19 — — EP disclosed
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