SCHEMBL4288920

SCHEMBL4288920

C[C](COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ HIF1A Q16665 4/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ TSHR P16473 3/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ APAF1 O14727 3/20 0.63
▸ USP2 O75604 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ TP53 P04637 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ RAD52 P43351 3/20 0.63
▸ ERBB2 P04626 2/20 0.63
▸ FYN P06241 2/20 0.63
▸ CHRM2 P08172 2/20 0.63
▸ CHRM4 P08173 2/20 0.63
▸ CHRM5 P08912 2/20 0.63
▸ ADRA2A P08913 2/20 0.63

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
SCHEMBL26657537 0.84 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
SCHEMBL10018594 0.79 CYP3A4 (0.61) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
SCHEMBL10018592 0.79 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
Benzethonium SCHEMBL122985 0.77 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
SCHEMBL11057809 0.77 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
Benzethonium SCHEMBL927612 0.76 SMN1; SMN2 (0.98) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
Benzethonium SCHEMBL4418328 0.76 SMN1; SMN2 (0.98) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
Benzethonium SCHEMBL1951703 0.76 SMN1; SMN2 (0.98) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
Benzethonium SCHEMBL22711570 0.76 SMN1; SMN2 (0.98) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA
Benzethonium SCHEMBL5549294 0.76 SMN1; SMN2 (0.98) SMN1; SMN2KMT2AHIF1ACYP3A4LMNA

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-20090256283-A1 THERMOPLASTIC RESIN COMPOSITION, MATERIAL FOR SUBSTRATE AND FILM FOR SUBSTRATE SEKISUI CHEMICAL CO., LTD. 2009-10-15 — — US disclosed
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