SCHEMBL8711835

SCHEMBL8711835

CC1=C(CC(=O)O)C(c2ccccc2[N+](=O)[O-])C(CC(=O)O)=C(C)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 5/20 0.60
CACNA1C Q13936 4/20 0.60
ADORA3 P0DMS8 3/20 0.60
CACNA1F O60840 3/20 0.60
CACNA1S Q13698 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
ABCC4 O15439 2/20 0.60
ABCB11 O95342 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
OPRM1 P35372 2/20 0.60
SCN1A P35498 2/20 0.60
HTR2B P41595 2/20 0.60
KCNH2 Q12809 2/20 0.60
SCN5A Q14524 2/20 0.60
SCN2A Q99250 2/20 0.60

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
SCHEMBL8713113 0.88 CACNA1D (0.58) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL14331445 0.86 ADORA3 (0.66) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL7270491 0.84 CACNA1D (0.59) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL14535054 0.81 ADORA3 (0.62) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL4608748 0.81 CACNA1C (0.73) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL612520 0.81 CACNA1C (0.73) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL12086019 0.80 ADORA3 (0.57) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL10493279 0.79 CACNA1D (0.59) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL29358809 0.78 CACNA1C (0.73) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL202183 0.78 CACNA1C (0.73) CACNA1DCACNA1CADORA3CACNA1FCACNA1S

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
US-5851736-A Heat-resistant photoresist composition, photosensitive substrate, and process for forming heat-resistant positive or negative pattern NITTO DENKO CORPORATION (JP) 1998-12-22 US disclosed
EP-0502400-B1 Heat-resistant positive photoresist composition, photosensitive substrate, and process for preparing heat-resistant positive pattern NITTO DENKO CORP (JP) 1997-09-17 EP disclosed
EP-0502400-A1 Heat-resistant positive photoresist composition, photosensitive substrate, and process for preparing heat-resistant positive pattern NITTO DENKO CORPORATION (JP) 1992-09-09 EP disclosed