SCHEMBL9803091

SCHEMBL9803091

COc1ccc(CCCNCCCCN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2OCC(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADRB2 P07550 5/20 0.41
▸ ADRB1 P08588 4/20 0.41
▸ ADRB3 P13945 4/20 0.41
▸ PTGER1 P34995 2/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
Oxalic Acid SCHEMBL9803165 0.98 KDM4E (0.49) KDM4ETDP1ADRB2ADRB1ADRB3
SCHEMBL9803763 0.91 KDM4E (0.45) KDM4EADRB2MAPK14SLC2A1
SCHEMBL9803095 0.89 KCNH2 (0.44) KDM4ETDP1LMNASMN1; SMN2MAPT
Oxalic Acid SCHEMBL9803157 0.87 KDM4E (0.47) KDM4ETDP1LMNASMN1; SMN2MAPT
SCHEMBL9427352 0.82 NPC1 (0.42) ADRB2ADRB1ADRB3LMNASMN1; SMN2
SCHEMBL9803513 0.82 MAPK14 (0.44) ADRB1MAPTMAPK14
SCHEMBL9803476 0.81 OPRM1 (0.44) KDM4ETDP1ADRB1MAPK14
Oxalic Acid SCHEMBL9427521 0.81 KDM4E (0.41) KDM4EADRB2ADRB1ADRB3SMN1; SMN2
Hydrochloric Acid SCHEMBL9803523 0.80 OPRM1 (0.43) KDM4ETDP1ADRB1MAPK14
SCHEMBL9803767 0.80 NR2F2 (0.41) KDM4ELMNAMAPK14SLC2A1

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-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 — — US claimed
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