SCHEMBL4994601

SCHEMBL4994601

CC(C)(C)[N+]1(c2ccccc2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
LMNA P02545 3/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 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
SCHEMBL12613216 0.80 CYP1A2 (0.39) CYP1A2CYP2C9SMN1; SMN2CHRNB2CHRNA3
SCHEMBL15293601 0.72 CYP1A2 (0.43) CYP1A2CYP2C9SMN1; SMN2CHRNB2CHRNA3
SCHEMBL2290692 0.72 CYP1A2 (0.50) CYP1A2CYP2C9SMN1; SMN2CHRNB2CHRNA3
SCHEMBL9051047 0.70 CYP1A2 (0.44) CYP1A2CYP2C9SMN1; SMN2CHRNB2CHRNA3
SCHEMBL15293602 0.68 CYP1A2 (0.56) CYP1A2CYP2C9SMN1; SMN2CHRNB2CHRNA3
Toluene SCHEMBL10532790 0.64 LMNA (0.44) CYP1A2CYP2C9SMN1; SMN2CHRNB2CHRNA3
Toluene SCHEMBL4458162 0.63 LMNA (0.65) SMN1; SMN2LMNAORAI1ORAI2ORAI3
Toluene SCHEMBL10900065 0.63 LMNA (0.65) SMN1; SMN2LMNAORAI1ORAI2ORAI3
Toluene SCHEMBL10611921 0.63 LMNA (0.65) SMN1; SMN2LMNAORAI1ORAI2ORAI3
Toluene SCHEMBL1573659 0.63 LMNA (0.65) SMN1; SMN2LMNAORAI1ORAI2ORAI3

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-1976966-A2 ENZYME AND PHOTOBLEACH CONTAINING COMPOSITIONS The Procter and Gamble Company (US) 2008-10-08 EP disclosed
WO-2007087259-A2 ENZYME AND PHOTOBLEACH CONTAINING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-08-02 WO disclosed