SCHEMBL11527635

SCHEMBL11527635

CCN(CC)CCOc1c(C)cc(C(=O)C(c2ccccc2)c2ccccc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ PPARA Q07869 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ CHRM2 P08172 3/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD1 P21728 1/20 0.42

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
SCHEMBL11527640 0.93 LMNA (0.57) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11525943 0.88 KDM4E (0.54) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11529632 0.85 LMNA (0.50) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11530140 0.85 KDM4E (0.46) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11528321 0.84 ALDH1A1 (0.51) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11567781 0.84 ALDH1A1 (0.46) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11525189 0.82 CHRM2 (0.64) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11530310 0.81 KDM4E (0.48) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11524308 0.81 KDM4E (0.46) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11530069 0.81 PPARA (0.48) LMNACYP1A2CYP2D6ALDH1A1CYP3A4

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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