SCHEMBL11437024

SCHEMBL11437024

NCCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.56
▸ GAA P10253 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ ELANE P08246 1/20 0.49
▸ SRD5A2 P31213 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PPARA Q07869 2/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ FABP2 P12104 1/20 0.47
▸ PPARG P37231 1/20 0.47

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
SCHEMBL1010863 0.85 TAAR1 (0.60) NPC1SMN1; SMN2MAOBTAAR1
SCHEMBL7773473 0.84 GAA (0.72) GAALMNAMAPK1PPARAESR1
SCHEMBL11554967 0.84 GAA (0.72) HPGDGAAKDM4EALDH1A1LMNA
SCHEMBL9482870 0.84 HPGD (0.58) HPGDGAAKDM4EALDH1A1LMNA
SCHEMBL20806916 0.84 CYP19A1 (0.66) HPGDGAALMNAHTTESR1
Hydrochloric Acid SCHEMBL1290885 0.83 TAAR1 (0.58) ALDH1A1LMNASMN1; SMN2MAOBTAAR1
SCHEMBL13299419 0.83 GAA (0.60) HPGDGAAKDM4EALDH1A1LMNA
SCHEMBL21567534 0.83 NPC1 (0.62) HPGDGAAALDH1A1LMNANPC1
SCHEMBL11439341 0.83 NPC1 (0.55) GAAALDH1A1LMNANPC1SRD5A2
SCHEMBL21991829 0.81 PPARA (0.62) HPGDGAAKDM4EALDH1A1LMNA

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-4215139-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1980-07-29 — — US disclosed
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