SCHEMBL7120971

SCHEMBL7120971

CCCCc1cc(CCCC)cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(CCCC)c(-c6ccccc6)c(CCCC)c5)cc4)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
TRPV1 Q8NER1 1/20 0.41
RARB P10826 2/20 0.41
PSMB5 P28074 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PTPN1 P18031 2/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL27407916 0.87 HSD11B1 (0.50) HSD11B1TRPV1RARBPSMB5AKR1C2
SCHEMBL30585175 0.85 RARB (0.44) HSD11B1RARBAKR1C2AKR1C1HPGD
SCHEMBL11513697 0.83 HSD11B1 (0.50) HSD11B1TRPV1RARBPSMB5AKR1C2
SCHEMBL2094991 0.82 DHFR (0.47) HSD11B1TRPV1ADORA3ESR1
SCHEMBL28164034 0.81 HSD11B1 (0.51) HSD11B1TRPV1RARBCHRNA7CHRNA10
SCHEMBL27747975 0.81 TAAR1 (0.47) HSD11B1RARBPSMB5ESR1ESR2
SCHEMBL18419652 0.81 RARB (0.50) HSD11B1RARBAKR1C2AKR1C1HPGD
SCHEMBL27836083 0.80 HSD11B1 (0.44) HSD11B1RARBADORA3PTPN1
SCHEMBL25956744 0.79 HSD11B1 (0.51) HSD11B1TRPV1RARBPSMB5ADORA3
SCHEMBL29843944 0.76 PTGS2 (0.50) HSD11B1TRPV1RARBCHRNA7CHRNA10

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-6667830-B1 Super-resolution microscope system and method for illumination JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-12-23 US disclosed