SCHEMBL4081189

SCHEMBL4081189

OCC1CCCN1c1cc(O)ccc1Cl.Oc1ccc(Cl)c(N2CCCC2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.39
CDK1 P06493 2/20 0.35
SPHK2 Q9NRA0 5/20 0.34
SPHK1 Q9NYA1 5/20 0.34
OPRK1 P41145 1/20 0.34
TYMP P19971 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SOS1 Q07889 2/20 0.33
CHUK O15111 2/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CUL4A Q13619 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL2938484 0.93 MAP2K7 (0.42) MAP2K7CDK1SPHK2SPHK1OPRK1
SCHEMBL2937114 0.89 HSD17B10 (0.38)
SCHEMBL3179170 0.79 MAP2K7 (0.49) MAP2K7CDK1SPHK2SPHK1OPRK1
SCHEMBL2935503 0.78 CHRNB4 (0.43) FFAR1CHRNB4CHRNA3
SCHEMBL2938685 0.77 MAP2K7 (0.42) MAP2K7SPHK2SPHK1FFAR1SOS1
SCHEMBL10208772 0.75 ADRB1 (0.46) SPHK2SPHK1TYMPCCNE2CDK4
SCHEMBL2938414 0.74 CHRNB4 (0.53) MAP2K7SPHK2CHRNB4CHRNA3
SCHEMBL9899369 0.72 NR1I2 (0.38) CDK1SPHK2SPHK1TYMPKDM4E
SCHEMBL9899367 0.72 NR1I2 (0.38) CDK1SPHK2SPHK1TYMPKDM4E
SCHEMBL2942471 0.72 MGLL (0.33) OPRK1FFAR1CHRNB4CHRNA3

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-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed