SCHEMBL21241747

SCHEMBL21241747

CCCc1ccc(CC)n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
DHFR P00374 1/20 0.30

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
SCHEMBL10103742 0.87 TP53 (0.32) ALDH1A1LMNAHTTDHFR
SCHEMBL21536641 0.78 ESR1 (0.30)
SCHEMBL21208114 0.76 CYP19A1 (0.30)
SCHEMBL14037711 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15071628 0.73 KDM4E (0.33) KDM4EALDH1A1LMNATSHRHTT
SCHEMBL12049599 0.72
SCHEMBL12200031 0.70
SCHEMBL13293732 0.70
SCHEMBL11892890 0.67
SCHEMBL21872068 0.65 HPGD (0.35) LMNA

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-3522243-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR PRODUCING SAME, AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM Corporation (JP) 2019-08-07 EP disclosed