SCHEMBL11513697

SCHEMBL11513697

CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
PSMB5 P28074 1/20 0.46
RARB P10826 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
HPGD P15428 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41

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 0.96 HSD11B1 (0.50) HSD11B1PSMB5RARBTRPV1HPGD
SCHEMBL29843944 0.92 PTGS2 (0.50) HSD11B1RARBTRPV1GPR84ALDH1A1
SCHEMBL27909193 0.92 PTGS2 (0.50) HSD11B1RARBTRPV1GPR84ALDH1A1
SCHEMBL25956744 0.91 HSD11B1 (0.51) HSD11B1PSMB5RARBTRPV1HPGD
SCHEMBL28164034 0.90 HSD11B1 (0.51) HSD11B1RARBTRPV1GPR84ALDH1A1
SCHEMBL10599359 0.88 PSMB5 (0.48) HSD11B1PSMB5RARB
SCHEMBL11515483 0.86 PSMB5 (0.49) HSD11B1PSMB5RARB
SCHEMBL30500519 0.86 PSMB5 (0.49) HSD11B1PSMB5RARB
SCHEMBL18419652 0.85 RARB (0.50) HSD11B1RARBHPGDNPC1MAPK1
SCHEMBL7120971 0.83 HSD11B1 (0.44) HSD11B1PSMB5RARBTRPV1HPGD

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
US-4177156-A SPECIALTY OILS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1979-12-04 US disclosed
US-4119555-A COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1978-10-10 US disclosed