SCHEMBL8870526

SCHEMBL8870526

CC(C)(C)OC(=O)CSc1ccc(NC(=O)NCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ FPR2 P25090 2/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39

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
SCHEMBL8871080 0.80 LMNA (0.39) PKMRAB9AMAPTLMNANPC1
SCHEMBL8871087 0.80 LMNA (0.39) PKMRAB9AMAPTLMNANPC1
SCHEMBL5284350 0.76 GAA (0.63) GAAPKMCA12CA1CA9
SCHEMBL25840841 0.76 NPC1 (0.55) CA12CA1CA2CA9RAB9A
SCHEMBL7867128 0.75 FFAR1 (0.55) RAB9AMAPTNPC1ALDH1A1TSHR
SCHEMBL3901459 0.74 NPC1 (0.42) GAACA1CA2RAB9AMAPT
SCHEMBL4597724 0.73 ALDH1A1 (0.44) GAACA2MAPTALDH1A1USP2
SCHEMBL19386035 0.73 NPC1 (0.47) GAARAB9AMAPTNPC1ALDH1A1
SCHEMBL13855069 0.73 HDAC1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL7046413 0.73 FFAR1 (0.44) RAB9AMAPTLMNANPC1ALDH1A1

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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