SCHEMBL7564575

SCHEMBL7564575

Cc1ccc(NCC(C)O)c(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ VDR P11473 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL15934307 0.87 IDO1 (0.49) IDO1HTTMAPTALDH1A1VDR
SCHEMBL15934223 0.77 CYP1A2 (0.36) IDO1HTTMAPTALDH1A1GAA
SCHEMBL15934239 0.77 CYP3A4 (0.55) IDO1HTTMAPTALDH1A1VDR
SCHEMBL9463737 0.77 ALDH1A1 (0.39) IDO1HTTMAPTALDH1A1GAA
SCHEMBL11174233 0.76 MAPT (0.50) HTTMAPTALDH1A1GAAMAPK1
SCHEMBL15934241 0.74 IDO1 (0.47) IDO1HTTMAPTALDH1A1VDR
SCHEMBL7571211 0.74 KDM4E (0.39) HTTMAPTALDH1A1GAAMAPK1
SCHEMBL15934250 0.73 IDO1 (0.44) IDO1ALDH1A1
SCHEMBL4965137 0.73 SMN1; SMN2 (0.49) HTTMAPTALDH1A1VDRGAA
SCHEMBL17006480 0.72 HTT (0.57) HTTMAPTALDH1A1LMNAUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083090-A2 NOVEL COUPLING COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-10-24 — — WO claimed
WO-2002083090-A2 NOVEL COUPLING COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-10-24 — — WO disclosed
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