SCHEMBL18346800

SCHEMBL18346800

COc1ccc(OC)c(NCC(=O)N2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TSHR P16473 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PTGS2 P35354 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL17188766 0.75 KMT2A (0.57) SMN1; SMN2RXFP1PTGS2ALDH1A1KMT2A
SCHEMBL2238597 0.75 ALDH1A1 (0.60) GAASMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL18962617 0.73 MCOLN3 (0.55) GAASMN1; SMN2TSHRALDH1A1RAB9A
SCHEMBL18962622 0.73 MCOLN3 (0.55) GAASMN1; SMN2TSHRALDH1A1RAB9A
SCHEMBL10673104 0.73 ALDH1A1 (0.54) SMN1; SMN2TSHRPTGS2ALDH1A1RAB9A
SCHEMBL16264094 0.72 MCOLN3 (0.54) SMN1; SMN2TSHRALDH1A1RAB9AKMT2A
SCHEMBL29944466 0.72 ALDH1A1 (0.76) GAASMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL20953767 0.72 KDM4E (0.50) GAAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6841567 0.72 KMT2A (0.57) GAASMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL12031645 0.71 TSHR (0.62) GAASMN1; SMN2TSHRALDH1A1RAB9A

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-9526786-B2 Thermostabilization of proteins THE TRUSTEE OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-27 — — US disclosed
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