SCHEMBL11325207

SCHEMBL11325207

CCCCc1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.61
HSD11B1 P28845 2/20 0.50
GPR3 P46089 1/20 0.47
BACE1 P56817 1/20 0.45
SKP2 Q13309 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
METAP2 P50579 1/20 0.43
RARB P10826 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 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
SCHEMBL4604288 0.91 PSMB5 (0.53) PSMB5HSD11B1GPR3RARB
SCHEMBL9617751 0.88 PSMB5 (0.51) PSMB5HSD11B1GPR3CA1CA2
SCHEMBL23432416 0.86 SKP2 (0.59) PSMB5HSD11B1GPR3BACE1SKP2
SCHEMBL10654561 0.86 PSMB5 (0.62) PSMB5HSD11B1GPR3BACE1SKP2
SCHEMBL29100401 0.85 CNR1 (0.48) PSMB5BACE1CA1CA2ALDH1A1
SCHEMBL27836085 0.85 PSMB5 (0.51) PSMB5HSD11B1GPR3SKP2RARB
SCHEMBL11512580 0.85 HSD11B1 (0.62) PSMB5HSD11B1CA1CA2RARB
SCHEMBL29086650 0.85 PSMB5 (0.51) PSMB5HSD11B1GPR3RARBALDH1A1
SCHEMBL4591101 0.84 BACE1 (0.66) PSMB5HSD11B1BACE1HPGD
SCHEMBL26193728 0.84 RARB (0.55) PSMB5HSD11B1GPR3BACE1SKP2

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