SCHEMBL9319979

SCHEMBL9319979

NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
HIF1A Q16665 4/20 0.60
TAAR1 Q96RJ0 3/20 0.60
NFKB1 P19838 3/20 0.60
HTR3A P46098 1/20 0.60
APEX1 P27695 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALOX15 P16050 1/20 0.58
BLM P54132 5/20 0.54
ADRB2 P07550 4/20 0.54
LMNA P02545 4/20 0.54
RECQL P46063 3/20 0.54
ADRA1A P35348 3/20 0.54
CYP3A4 P08684 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54

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
SCHEMBL7151403 1.00 TSHR (0.60) TSHRHIF1ATAAR1NFKB1HTR3A
SCHEMBL7148639 0.82 TAAR1 (0.47) TSHRHIF1ATAAR1NFKB1HTR3A
SCHEMBL7148642 0.82 TAAR1 (0.47) TSHRHIF1ATAAR1NFKB1HTR3A
SCHEMBL7151251 0.80 NFKB1 (0.50) TSHRHIF1ATAAR1NFKB1HTR3A
SCHEMBL19565613 0.78 BLM (0.63) TSHRHIF1ATAAR1NFKB1HTR3A
Norfenefrine SCHEMBL15485360 0.78 HIF1A (0.59) TSHRHIF1ATAAR1NFKB1HTR3A
Norfenefrine SCHEMBL1797532 0.78 HIF1A (0.59) TSHRHIF1ATAAR1NFKB1HTR3A
Norfenefrine SCHEMBL153494 0.78 HIF1A (0.59) TSHRHIF1ATAAR1NFKB1HTR3A
Norfenefrine SCHEMBL9639702 0.78 HIF1A (0.59) TSHRHIF1ATAAR1NFKB1HTR3A
Norfenefrine SCHEMBL30389272 0.78 HIF1A (0.59) TSHRHIF1ATAAR1NFKB1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1086816-A The preparation method of ethanolamine derivant GLAXO GROUP LTD (GB) 1994-05-18 CN disclosed
US-5283262-A Antiinflammatory, antiallergens GLAXO GROUP LIMITED (GB) 1994-02-01 US disclosed
EP-0322164-B1 ETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-22 EP disclosed
EP-0317206-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-04-28 EP disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
US-5109023-A For treating asthma, chronic bronchits, gastrointestinal disorders, anticoagulant, antiinflammatory agent and antiallergens GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
US-5099068-A Antiulcer agents, beta-adrenoreceptors or bronchodilator agents for treatment of asthma GLAXO GROUP LIMITED (GB) 1992-03-24 US disclosed
US-5039697-A Adrenergic stimulants, bronchodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
US-5032609-A Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
US-5002966-A Adrenergic Stimulants GLAXO GROUP LIMITED (GB) 1991-03-26 US disclosed
US-4997986-A Respiratory system disorders GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed
CN-1048040-A Preparation of ethanolamine derivatives GLAXO GROUP LTD (GB) 1990-12-26 CN disclosed
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0322164-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 EP disclosed
EP-0317206-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 EP disclosed
EP-0223410-A2 Ethanolamine Derivatives GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed
US-3966814-A PERIPHERAL VASODILATORS, ANTIHISTAMINES, SPASMOLYTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-06-29 US disclosed