SCHEMBL4640323

SCHEMBL4640323

CCOC(=O)C(CC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
PIN1 Q13526 1/20 0.47
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45

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
SCHEMBL392176 0.83 KCNN4 (0.55) CHRM2CHRM1CHRM3SCN1ASCN2A
SCHEMBL28970082 0.83 CHRM2 (0.65) CHRM2CHRM1CHRM3PIN1SCN1A
SCHEMBL10769662 0.83 ALDH1A1 (0.46) CHRM2CHRM1CHRM3LMNACYP3A4
SCHEMBL8127329 0.80 CYP2C19 (0.50) CHRM2CHRM1CHRM3PIN1SCN1A
SCHEMBL2088138 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3PIN1SCN1A
SCHEMBL8592701 0.80 SCN1A (0.67) CHRM2CHRM1CHRM3PIN1SCN1A
SCHEMBL2995040 0.79 ALDH1A1 (0.57) CHRM2CHRM1CHRM3PIN1SCN1A
SCHEMBL819510 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3PIN1SCN1A
SCHEMBL8661322 0.78 OPRM1 (0.58) CHRM2CHRM1CHRM3SCN1ASCN2A
SCHEMBL21119495 0.78 PIN1 (0.42) CHRM2CHRM1CHRM3PIN1SCN1A

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-1954796-A1 IMPROVEMENTS RELATING TO FABRIC TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2008-08-13 EP disclosed
WO-2007062833-A1 IMPROVEMENTS RELATING TO FABRIC TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2007-06-07 WO disclosed