SCHEMBL11381503

SCHEMBL11381503

CN1C(=O)CCc2c(OC3CCCCO3)ccc(OCc3ccccc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SGMS2 Q8NHU3 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ C5AR1 P21730 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL11387048 0.88 ALDH1A1 (0.40) ALDH1A1CCR5MEN1KMT2AMAPK14
SCHEMBL11385796 0.79 ALDH1A1 (0.41) CYP19A1CYP11B1CYP11B2PDE4BALDH1A1
SCHEMBL8601015 0.77 MEN1 (0.44) ALDH1A1MAPTKDM4CHTR2CHTR2B
SCHEMBL11394040 0.76 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL8601204 0.73 CCR5 (0.45) ALDH1A1MAPTHTR2CHTR2BCCR5
SCHEMBL27252708 0.71 MAPT (0.44) ALDH1A1MAPTCCR5MEN1KMT2A
SCHEMBL8601010 0.69 LMNA (0.46) MAPTMEN1KMT2ACYP2D6HRH3
SCHEMBL17542808 0.69 CHRM5 (0.39) PDE4BALDH1A1MAPTMEN1KMT2A
SCHEMBL10691066 0.68 DHFR (0.39) ALDH1A1MAPTHTR2CHTR2BCCR5
SCHEMBL17543630 0.68 HCRTR1 (0.38) PDE4BALDH1A1MAPTMEN1KMT2A

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-4302588-A 5-(3-SUBSTITUTED AMINO)-2-HYDROXY-PROPYLOXY)-8-HYDROXY OR ALKOXY-CARBOSTYRILS, ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-24 — — US disclosed
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