SCHEMBL11539730

SCHEMBL11539730

CNCCc1ccc(O)cc1.[H]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.95
SIGMAR1 Q99720 2/20 0.95
TAAR1 Q96RJ0 5/20 0.59
MAPT P10636 2/20 0.59
HIF1A Q16665 2/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
THPO P40225 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ATM Q13315 1/20 0.58
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
F13A1 P00488 1/20 0.57
GMNN O75496 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL274906 0.98 TMEM97 (1.00) TMEM97SIGMAR1TAAR1MAPTHIF1A
Hydrochloric Acid SCHEMBL5115776 0.95 TMEM97 (0.95) TMEM97SIGMAR1TAAR1MAPTHIF1A
Bromide SCHEMBL6337077 0.95 TMEM97 (0.95) TMEM97SIGMAR1TAAR1MAPTHIF1A
Hydrochloric Acid SCHEMBL28659483 0.93 TMEM97 (0.91) TMEM97SIGMAR1TAAR1MAPTHIF1A
Hydrochloric Acid SCHEMBL27960798 0.93 TMEM97 (0.91) TMEM97SIGMAR1TAAR1MAPTHIF1A
Nitrous Acid SCHEMBL18329343 0.88 TMEM97 (0.81) TMEM97SIGMAR1TAAR1MAPTHIF1A
Tyramine SCHEMBL27589422 0.88 TMEM97 (0.81) TMEM97SIGMAR1TAAR1MAPTHIF1A
SCHEMBL579569 0.86 TMEM97 (0.78) TMEM97SIGMAR1TAAR1MAPTHIF1A
SCHEMBL10156581 0.85 TAAR1 (0.76) TMEM97SIGMAR1TAAR1MAPTHIF1A
Nitric Acid SCHEMBL18329335 0.85 TMEM97 (0.75) TMEM97SIGMAR1TAAR1MAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156010-A TREATMENT OF GLAUCOMA MERCK & CO., INC. (US) 1979-05-22 US disclosed