SCHEMBL11801874

SCHEMBL11801874

CCC(=O)C(CCCCCCCOc1ccc2c(c1)OCO2)C(=O)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.49
▸ MAPT P10636 7/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAOA P21397 2/20 0.48
▸ TSHR P16473 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ FKBP1A P62942 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL11803139 1.00 MAOB (0.49) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11796564 0.99 MAOB (0.50) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11800862 0.95 MAOB (0.51) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11799177 0.93 MAOB (0.47) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11803335 0.91 L3MBTL1 (0.51) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11797278 0.87 MAPT (0.51) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11807107 0.86 MAOB (0.52) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11807128 0.86 MAPT (0.47) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11805183 0.82 L3MBTL1 (0.52) MAOBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL11796833 0.82 L3MBTL1 (0.49) MAOBMAPTRAB9ASMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933837-A 3,4-Methylenedioxyphenoxy-alkyl diketones and keto-esters STERLING DRUG INC. (US) 1976-01-20 — — US claimed
US-3933837-A 3,4-Methylenedioxyphenoxy-alkyl diketones and keto-esters STERLING DRUG INC. (US) 1976-01-20 — — US disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 — — US disclosed
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