SCHEMBL8002537

SCHEMBL8002537

COC(=O)c1ccc(CCN)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TSHR P16473 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
LMNA P02545 4/20 0.55
APEX1 P27695 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TAAR1 Q96RJ0 3/20 0.54
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 3/20 0.53

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
SCHEMBL1165530 0.87 GAA (0.62) GAACA12CA1CA2CA7
Hydrochloric Acid SCHEMBL2894768 0.85 GAA (0.60) GAACA12CA1CA2CA7
SCHEMBL8303432 0.85 CA12 (0.59) GAACA12CA1CA2CA7
SCHEMBL14756869 0.84 TSHR (0.54) GAATSHRCYP1A2CYP3A4NFKB1
SCHEMBL4054409 0.84 LOXL2 (0.49) GAACA12CA1CA2CA7
SCHEMBL27658218 0.84 CA12 (0.57) GAACA12CA1CA2CA7
SCHEMBL4451323 0.84 TSHR (0.47) GAATSHRCYP1A2CYP3A4NFKB1
SCHEMBL17201140 0.83 CA12 (0.65) GAACA12CA1CA2CA7
SCHEMBL2742567 0.83 TSHR (0.61) GAATSHRCYP1A2CYP3A4NFKB1
Hydrochloric Acid SCHEMBL12499751 0.83 LMNA (0.47) GAATSHRCYP1A2CYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000027787-A1 METHOD OF PRODUCING ACETOXYARYL CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2000-05-18 WO claimed
CN-106432557-A HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS 科迪亚科学企业公司 2017-02-22 CN disclosed
CN-103492489-A High molecular weight zwitterionic polymers OLIGASIS 2014-01-01 CN disclosed
WO-2000027790-A1 MUTILIN COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed
US-4668816-A High yield carbonylation of halo-hydrocarbons STAUFFER CHEMICAL COMPANY (US) 1987-05-26 US disclosed
EP-0222460-A1 High yield carbonylation of halo-hydrocarbons STAUFFER CHEMICAL COMPANY (US) 1987-05-20 EP disclosed