SCHEMBL17896107

SCHEMBL17896107

COCCn1ncc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ HTT P42858 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SPR P35270 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL17896048 0.94 USP2 (0.33) USP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17895886 0.89 ELANE (0.34) USP2MAPTLMNAELANEHTT
SCHEMBL17896114 0.87 HSD11B1 (0.36) USP2ALDH1A1MAPTLMNAHPGD
SCHEMBL17896093 0.86 ALDH1A1 (0.38) ALDH1A1MAPTLMNAELANEKDM4E
SCHEMBL17895841 0.86 ELANE (0.32) ELANESPR
SCHEMBL17895850 0.86 KDM4E (0.35) MAPTLMNAELANEKDM4ESPR
Hydrochloric Acid SCHEMBL17896096 0.85 ALDH1A1 (0.37) ALDH1A1ELANEKDM4ESPRPLK1
SCHEMBL17896061 0.85 ALDH1A1 (0.37) ALDH1A1ELANEKDM4ESPRPLK1
Hydrochloric Acid SCHEMBL17895964 0.85 KDM4E (0.35) ALDH1A1MAPTKMT2ALMNAHSD17B10
Hydrochloric Acid SCHEMBL17896128 0.85 ALDH1A1 (0.37) ALDH1A1ELANEKDM4ESPRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO claimed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
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