SCHEMBL9194409

SCHEMBL9194409

CN(CCO)Cc1cc(C(C)(C)C)cc(CN(C)CCO)c1O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.66
CYP2D6 P10635 8/20 0.61
CYP1A2 P05177 6/20 0.61
CYP2C9 P11712 3/20 0.61
HIF1A Q16665 2/20 0.61
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7942593 0.91 HIF1A (0.55) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL9188139 0.90 ALOX15 (0.66) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL9193506 0.84 MAPK1 (0.46) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL9429990 0.83 CYP2D6 (0.55) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL7940340 0.82 HIF1A (0.52) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL6053413 0.81 HIF1A (0.59) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL7933627 0.81 HIF1A (0.51) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL9195491 0.80 HSD17B10 (0.47) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL7117673 0.80 CYP2C19 (1.00) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A
SCHEMBL9193500 0.79 CNR1 (0.42) CYP2C19CYP2D6CYP1A2CYP2C9HIF1A

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
EP-0517356-B1 Composition and method for inhibiting corrosion and/or promoting adhesion of a metal surface ZENECA LTD (GB) 1995-12-06 EP claimed
US-5324347-A 2,6-bis hydroxyalkylamino methyl phenol; corrosion resistance, adhesion promoting IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-28 US disclosed