SCHEMBL9074052

SCHEMBL9074052

CCOC(=O)C(=O)Nc1ccc2oc(C(=O)c3ccncc3)c(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 12/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL9075646 0.81 SMN1; SMN2 (0.45) HIF1AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL11534363 0.72 MAPT (0.66) LMNAALDH1A1HPGDMAPTNPC1
SCHEMBL26602375 0.72 HIF1A (0.64) HIF1AKDM4E
SCHEMBL8305025 0.69 ALDH1A1 (0.41) TDP1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL14486923 0.68 NOTUM (0.56) ALDH1A1HPGDMAPT
SCHEMBL11408843 0.68 MAPT (0.83) TDP1HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL9076806 0.67 MAOB (0.42) TDP1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4509741 0.67 MAPT (0.57) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL15022422 0.67 MCL1 (0.60) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL9076541 0.67 MAPT (0.44) HIF1ASMN1; SMN2MAPTNPC1RAB9A

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-5565488-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US claimed
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