SCHEMBL29017807

SCHEMBL29017807

OCCNCCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.60
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ F13A1 P00488 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ ADRB2 P07550 2/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7381628 0.91 TMEM97 (0.67) CA2TMEM97SIGMAR1ESR1ESR2
SCHEMBL18122725 0.83 OPRK1 (0.64) TMEM97SIGMAR1ADRB2SLC6A2BCHE
SCHEMBL7386235 0.81 SIGMAR1 (0.61) CA2TMEM97SIGMAR1ESR1ESR2
SCHEMBL28689243 0.81 KDM4E (0.61) CA2TMEM97SIGMAR1ESR1ESR2
SCHEMBL1239174 0.81 TAAR1 (0.55) CA2SIGMAR1CA1ADRB2TAAR1
SCHEMBL12298695 0.81 TAAR1 (0.55) CA2KDM4ECA1ALDH1A1CYP2C19
SCHEMBL3653561 0.81 GFER (0.52) CA2SIGMAR1CA1ADRB2ADRB1
SCHEMBL1822940 0.80 SMN1; SMN2 (0.56) CA2TMEM97SIGMAR1ESR1ESR2
SCHEMBL357594 0.80 SIGMAR1 (0.65) SIGMAR1TAAR1TDP1
Hydrochloric Acid SCHEMBL6898067 0.79 TAAR1 (0.53) CA2KDM4ECA1ALDH1A1CYP2C19

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
CN-115074129-A Preparation method of tyramine quantum dot fluorescent sensing material 天津科技大学 2022-09-20 — — CN disclosed
Send feedback