SCHEMBL11077485

SCHEMBL11077485

CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cnccn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.74
▸ LMNA P02545 3/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ TSHR P16473 1/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ MAPT P10636 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HRH3 Q9Y5N1 6/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ SLC6A7 Q99884 1/20 0.45

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
SCHEMBL18701806 0.78 GPR119 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL15134823 0.77 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL24597769 0.76 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL10244960 0.76 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL23903336 0.75 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL19231640 0.73 ALDH1A1 (0.67) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL10282306 0.73 ALDH1A1 (0.74) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL652785 0.73 ALDH1A1 (0.66) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL10968173 0.73 TRPV1 (0.67) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL11082813 0.73 GFER (0.57) ALDH1A1KDM4ESMN1; SMN2HSD17B10NPSR1

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-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 — — US claimed
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