SCHEMBL9812178

SCHEMBL9812178

CCCCCCCCc1cc(CC)c(N(C)C)c(CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
CYP3A4 P08684 2/20 0.46
GPR84 Q9NQS5 2/20 0.44
FUT7 Q11130 1/20 0.41
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
HSPD1 P10809 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
SCHEMBL200892 0.79 PTGS2 (0.53) PTGS2CYP3A4GPR84FUT7ESR1
SCHEMBL200317 0.79 PTGS2 (0.53) PTGS2CYP3A4GPR84FUT7ESR1
SCHEMBL11594947 0.77 PTGS2 (0.52) PTGS2CYP3A4GPR84FUT7ESR1
SCHEMBL200893 0.77 PTGS2 (0.62) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL200318 0.77 PTGS2 (0.62) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1023186 0.77 PTGS2 (0.62) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL8560359 0.75 PTGS2 (0.70) PTGS2CYP3A4GPR84FUT7ESR1
SCHEMBL7628223 0.75 PTGS2 (0.70) PTGS2CYP3A4GPR84FUT7ESR1
SCHEMBL9122379 0.75 PTGS2 (0.70) PTGS2CYP3A4GPR84FUT7ESR1
SCHEMBL199836 0.75 PTGS2 (0.53) PTGS2CYP3A4GPR84FUT7ESR1

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
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 EP disclosed