SCHEMBL8545596

SCHEMBL8545596

Cc1cccc(CC(CCC(=O)O)[N+](=O)[O-])c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.36
FFAR1 O14842 2/20 0.35
GLA P06280 1/20 0.34
STING1 Q86WV6 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CPA3 P15088 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PTGER1 P34995 1/20 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
SCHEMBL27367484 0.77 LMNA (0.44) TSHRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL9548337 0.75 CPA3 (0.56) FFAR1CPA3
SCHEMBL28592638 0.73 TSHR (0.46) TDP1L3MBTL1TSHRSMN1; SMN2MEN1
SCHEMBL31383447 0.71 PTGER1 (0.43) FFAR1CYSLTR2CYSLTR1PTGER1PTGER4
SCHEMBL8053590 0.71 KMT2A (0.50) TDP1L3MBTL1MEN1KMT2AKDM4C
SCHEMBL30873948 0.71 NPSR1 (0.57) POLBFFAR1PTGER1PTGER4PTGER3
SCHEMBL1450886 0.71 NPSR1 (0.57) POLBFFAR1PTGER1PTGER4PTGER3
SCHEMBL9544466 0.70 CYP1A2 (0.47) MEN1KMT2APOLBFFAR1CRHBP
SCHEMBL8765867 0.70 CYP1A2 (0.47) MEN1KMT2APOLBFFAR1CRHBP
SCHEMBL725597 0.70 LMNA (0.48) MEN1KMT2AKDM4C

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
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed