SCHEMBL14093082

SCHEMBL14093082

CC(C)(C)NCc1cccc(Oc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FAAH O00519 1/20 0.47
▸ FDFT1 P37268 1/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ MITF O75030 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL13958885 0.88 KDM4E (0.57) ALDH1A1KDM4EHTTSMN1; SMN2FFAR1
SCHEMBL13958863 0.87 MMP13 (0.52) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL13958845 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EHTTSMN1; SMN2FFAR1
SCHEMBL13958879 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL16316303 0.81 FDFT1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL13958862 0.81 HTR2A (0.45) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL13958859 0.81 MAPK14 (0.49) ALDH1A1KDM4ESMN1; SMN2FAAHFDFT1
SCHEMBL4178678 0.80 FDFT1 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL4178681 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL13802648 0.80 FAAH (0.49) ALDH1A1KDM4EHTTSMN1; SMN2FAAH

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-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — US disclosed
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