SCHEMBL11323213

SCHEMBL11323213

CCCCc1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.42
HSD11B1 P28845 1/20 0.41
TYR P14679 1/20 0.41
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
PPARA Q07869 1/20 0.39
MGLL Q99685 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL5595171 0.89 SMN1; SMN2 (0.40) RARARARBRARGADORA3PPARA
SCHEMBL11568432 0.89 HSD11B1 (0.52) PSMB5HSD11B1RARARARBRARG
SCHEMBL27730914 0.86 PSMB5 (0.42) PSMB5HSD11B1RARBADORA3PPARA
SCHEMBL28804323 0.85 PPARA (0.49) PSMB5HSD11B1ADORA3PPARA
SCHEMBL10802840 0.85 PPARA (0.46) PSMB5HSD11B1TYRPPARATLR8
SCHEMBL15391163 0.85 PPARA (0.49) PSMB5HSD11B1ADORA3PPARA
SCHEMBL12610868 0.85 PPARA (0.49) PSMB5HSD11B1ADORA3PPARA
SCHEMBL10802846 0.85 PPARA (0.46) PSMB5HSD11B1TYRPPARATLR8
SCHEMBL10661755 0.84 PSMB5 (0.44) PSMB5HSD11B1TYRADORA3
SCHEMBL8184843 0.83 TYR (0.46) HSD11B1TYRRARBADORA3MGLL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4292462-A INSULATORS-COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1981-09-29 US disclosed
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