SCHEMBL28187243

SCHEMBL28187243

CCCCCCC(O)(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
GAA P10253 1/20 0.45
SCN5A Q14524 3/20 0.44
SCN9A Q15858 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
EBP Q15125 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL28187244 1.00 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL9782412 1.00 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL6471777 1.00 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL4775722 0.98 SIGMAR1 (0.47) SIGMAR1GAASCN5ASCN9AMEN1
Benzene SCHEMBL27446323 0.96 SIGMAR1 (0.44) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL8935459 0.92 SIGMAR1 (0.44) SIGMAR1GAAMEN1KMT2ACHRM2
SCHEMBL11413546 0.84 SIGMAR1 (0.64) SIGMAR1GAASCN5ASCN9ACHRM2
SCHEMBL11643873 0.84 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL3809940 0.84 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL3422456 0.84 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1

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
CN-107383866-A Flame-retardant reinforced nylon composite and preparation method thereof and preparing case for circuit breaker application 浙江新力新材料股份有限公司 2017-11-24 CN disclosed