SCHEMBL9803767

SCHEMBL9803767

COc1cccc(CCN(C)CCCCN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2OCC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABCB1 P08183 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL9803095 0.91 KCNH2 (0.44) ABCB1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9803763 0.89 KDM4E (0.45) NR2F2RAB9AKDM4EMEN1KMT2A
Oxalic Acid SCHEMBL9803157 0.89 KDM4E (0.47) ABCB1KDM4EMEN1KMT2AALDH1A1
SCHEMBL30357949 0.87 GPBAR1 (0.42) ALDH1A1MAPK14
SCHEMBL9803476 0.84 OPRM1 (0.44) KDM4EALDH1A1CYP2D6HTR2AMAPK14
Hydrochloric Acid SCHEMBL9803523 0.83 OPRM1 (0.43) KDM4EMEN1KMT2AALDH1A1CYP2D6
SCHEMBL9803513 0.83 MAPK14 (0.44) ABCB1ALDH1A1CYP2D6HTR2AMAPK14
SCHEMBL9803091 0.80 KDM4E (0.46) KDM4ESLC2A1LMNAMAPK14
Oxalic Acid SCHEMBL9803165 0.78 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7343184 0.74 KCNH2 (0.49) RAB9AABCB1KDM4EMEN1KMT2A

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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