SCHEMBL17895947

SCHEMBL17895947

CCCn1c(C)cc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 5/20 0.37
▸ HTT P42858 4/20 0.37
▸ USP2 O75604 2/20 0.37
▸ FABP4 P15090 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17896002 0.91 LMNA (0.38) TSHRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL17895823 0.85 LMNA (0.35) TSHRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL17895906 0.80 NOTUM (0.38) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL17895839 0.76 PLK1 (0.47) TSHRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL17896114 0.75 HSD11B1 (0.36) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL17896006 0.74 LMNA (0.38) TSHRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL17896080 0.74 LMNA (0.41) TSHRALDH1A1KDM4EMAPTGAA
SCHEMBL17896153 0.73 LMNA (0.37) TSHRALDH1A1KDM4ETDP1MAPT
SCHEMBL17895886 0.73 ELANE (0.34) MAPTLMNAHTTUSP2L3MBTL1
SCHEMBL17896049 0.72 LMNA (0.35) TSHRALDH1A1KDM4EMAPTLMNA

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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