SCHEMBL11788432

SCHEMBL11788432

CCCCCCCCc1ccc(/N=C\c2ccccc2OCCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ MAOB P27338 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 3/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SHBG P04278 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
SCHEMBL11869399 0.92 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9MAOBALDH1A1
SCHEMBL11796254 0.92 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9MAOBSMN1; SMN2
SCHEMBL11312625 0.87 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9MAOBSMN1; SMN2
SCHEMBL1487480 0.83 MEN1 (0.48) CYP3A4CYP2D6CYP2C9MAOBSMN1; SMN2
SCHEMBL12416892 0.80 SIRT2 (0.61) CYP3A4CYP2D6CYP2C9MAOBALDH1A1
SCHEMBL11679733 0.78 MEN1 (0.51) CYP3A4CYP2D6CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL11798194 0.78 MEN1 (0.51) CYP3A4CYP2D6CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL11798187 0.78 MEN1 (0.51) CYP3A4CYP2D6CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL10533050 0.77 GAA (0.54) CYP2D6CYP2C9MAOBSMN1; SMN2ALDH1A1
SCHEMBL1877158 0.76 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9ALDH1A1LMNA

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-3975285-A LONG LIFE DYNAMIC LIGHT SCATTERING PROPERTIES HODOGAYA CHEMICAL CO., LTD. (JA) 1976-08-17 — — US disclosed
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