SCHEMBL9418481

SCHEMBL9418481

C=CCN(CC=C)Cc1ccc(O)c(CN(CC=C)CC=C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH2 P05091 1/20 0.43
AKR1B1 P15121 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42

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
SCHEMBL11142858 0.86 PYCR1 (0.43) ALDH1A1OPRM1OPRD1OPRK1HTT
SCHEMBL5823545 0.82 ALDH1A1 (0.56) XDHGABRA1GABRB2ALDH1A1MEN1
SCHEMBL9418482 0.81 OPRM1 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL29216855 0.80 CDK1 (0.51) XDHGABRA1GABRB2ALDH1A1MEN1
SCHEMBL9278395 0.80 AMY1A (0.49) GABRA1GABRB2ALDH1A1MEN1MAPT
SCHEMBL11137339 0.80 PYCR1 (0.55) ALDH1A1MAPTKDM4EOPRM1OPRD1
SCHEMBL5690397 0.79 OPRM1 (0.53) ALDH1A1ALDH2OPRM1OPRD1OPRK1
SCHEMBL11269728 0.77 POLB (0.67) GABRA1GABRB2ALDH1A1MEN1MAPT
SCHEMBL4942839 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EAKR1B1
SCHEMBL6421197 0.76 OPRM1 (0.38) XDHGABRA1GABRB2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469811-B1 Accelerators for curing phenolic resole resins BORDEN INC (US) 1994-11-30 EP claimed
US-5294649-A Hardening agent of magnesioum hydroxide or lightburned magnesium oxide and promoter of a nitrogen-containing heterocyclic compound BORDEN, INC. (US) 1994-03-15 US claimed
EP-0469811-A2 Accelerators for curing phenolic resole resins Borden, Inc. (US) 1992-02-05 EP claimed