SCHEMBL17896006

SCHEMBL17896006

CCn1c(C)c(C)c2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 3/20 0.35
▸ PKM P14618 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL17896049 0.85 LMNA (0.35) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17895948 0.80 KDM4E (0.45) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL17896002 0.80 LMNA (0.38) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17896153 0.79 LMNA (0.37) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17895874 0.76 LMNA (0.37) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17896121 0.76 LMNA (0.34) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17895780 0.75 LMNA (0.34) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17895947 0.74 TSHR (0.42) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17895925 0.74 LMNA (0.33) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL17896071 0.73 ALDH1A1 (0.34) LMNAKDM4EALDH1A1TSHRPKM

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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