SCHEMBL19415089

SCHEMBL19415089

CC(=O)C(C)(C)CC(C)(C)Oc1ccc(C(=O)C2CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 8/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HRH1 P35367 2/20 0.38

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
SCHEMBL18560515 0.88 KDM2B (0.43) KDM2BNPC1RAB9AHSD11B1POLB
SCHEMBL18569336 0.79 TSHR (0.46) NPC1RAB9AALDH1A1MAPK1POLB
SCHEMBL18560516 0.75 ALDH1A1 (0.42) ALDH1A1KMT2A
SCHEMBL17949736 0.74 NPC1 (0.60) KDM2BNPC1RAB9AALDH1A1HSD11B1
SCHEMBL3367257 0.72 NPC1 (0.77) KDM2BNPC1RAB9AALDH1A1MAPK1
SCHEMBL19415101 0.70 THRA (0.41) KDM2BNPC1RAB9AALDH1A1MAPK1
SCHEMBL27957268 0.70 HSD11B1 (0.61) KDM2BNPC1RAB9AALDH1A1HSD11B1
SCHEMBL20627946 0.69 MAPT (0.46) RAB9AALDH1A1MAPK1POLBKMT2A
SCHEMBL9136904 0.69 NPC1 (0.77) KDM2BNPC1RAB9AALDH1A1MAPK1
SCHEMBL26424729 0.69 MEN1 (0.68) NPC1RAB9AALDH1A1MEN1KMT2A

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-3225631-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2017-10-04 — — EP disclosed
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