SCHEMBL11530310

SCHEMBL11530310

CCC(C(=O)c1ccccc1)c1cc(C)c(OCCN(CC)CC)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 4/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ CHRM2 P08172 3/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ EBP Q15125 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41

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
SCHEMBL11525943 0.91 KDM4E (0.54) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL11527640 0.86 LMNA (0.57) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL11527635 0.81 LMNA (0.56) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL11530140 0.81 KDM4E (0.46) KDM4ELMNACYP2D6CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL11567781 0.80 ALDH1A1 (0.46) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL19643760 0.80 KMT2A (0.58) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL11529632 0.79 LMNA (0.50) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL11526909 0.78 LMNA (0.46) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11528321 0.78 ALDH1A1 (0.51) KDM4ELMNACYP2D6CYP1A2ALDH1A1
SCHEMBL10827595 0.75 BCHE (0.59) KDM4ELMNACYP2D6CYP1A2ALDH1A1

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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