SCHEMBL11720107

SCHEMBL11720107

CC(C)N(CCCOc1ccc(C(=O)c2ccc(N)c(N)c2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ MCHR1 Q99705 6/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ LSS P48449 3/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL11713349 0.96 LSS (0.46) ESR1ESR2ABCB1MCHR1BCHE
SCHEMBL11722280 0.94 ESR1 (0.53) ESR1ESR2ABCB1MCHR1NPC1
SCHEMBL11716196 0.89 ESR1 (0.44) ESR1ABCB1MCHR1HRH3L3MBTL1
SCHEMBL11718537 0.86 LMNA (0.44) ESR1SMN1; SMN2HRH3L3MBTL1
SCHEMBL11715619 0.86 ALDH1A1 (0.51) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL11717604 0.84 BCHE (0.59) BCHEACHEHRH3
SCHEMBL11713798 0.83 MCHR1 (0.45) ESR1ESR2MCHR1L3MBTL1
SCHEMBL11712203 0.82 THRA (0.55) BCHEACHE
SCHEMBL11718751 0.82 BCHE (0.52) BCHEACHE
SCHEMBL11719155 0.82 KDM4E (0.52) SMN1; SMN2BCHEACHELSS

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-4010272-A ANTHELMINTICALLY ACTIVE BASICALLY SUBSTITUTED 2-CARBALKOXY-AMINO-BENZIMIDAZOLYL-5(6)-PHENYL ETHERS AND -KETONES HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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