SCHEMBL11533264

SCHEMBL11533264

CCCCN(CCCC)CCOc1ccc(C(=O)CC(C)(c2ccccc2)c2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 7/20 0.51
▸ THRB P10828 6/20 0.51
▸ HTR1B P28222 1/20 0.41
▸ BCHE P06276 4/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
Hydrochloric Acid SCHEMBL11525645 0.99 THRA (0.50) THRATHRBHTR1BBCHEPLA2G2A
SCHEMBL11529389 0.96 THRA (0.49) THRATHRBHTR1BPLA2G2AKDM4E
Hydrochloric Acid SCHEMBL11529364 0.95 THRA (0.48) THRATHRBHTR1BKDM4EMCHR1
SCHEMBL11533262 0.93 THRA (0.43) THRATHRBHTR1BBCHEACHE
Hydrochloric Acid SCHEMBL11525643 0.92 THRA (0.42) THRATHRBHTR1BBCHEWDR5
SCHEMBL11529638 0.91 CHRM2 (0.46) THRATHRBBCHEACHEKDM4E
Hydrochloric Acid SCHEMBL11528326 0.90 CHRM2 (0.46) THRATHRBBCHEACHEKDM4E
SCHEMBL11530074 0.90 THRA (0.47) THRATHRBBCHEACHEKDM4E
SCHEMBL11529387 0.89 HTR1D (0.43) THRATHRBHTR1BWDR5KDM4E
Hydrochloric Acid SCHEMBL11533368 0.89 THRA (0.47) THRATHRBBCHEACHEKDM4E

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-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 — — US disclosed
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