SCHEMBL9400433

SCHEMBL9400433

COC(=O)c1cc(C(=O)OC)c(CCC(N)Cc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40
▸ SIGMAR1 Q99720 5/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL14920929 0.81 ALDH1A1 (0.54) MMP2SLC7A5KDM4EPKMALDH1A1
SCHEMBL9400428 0.76 MPO (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9400466 0.75 MAPK1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2370229 0.74 ALDH1A1 (0.51) MMP2SLC7A5KDM4EALDH1A1LMNA
SCHEMBL9400445 0.72 MAPK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9400536 0.72 MAPK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9400514 0.72 CYP4A11 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9400505 0.71 CYP4A11 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9400529 0.69 ASPH (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9400414 0.69 MAPK1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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-5356909-A Substituted pyridine-2,4-dicarboxylic acid compounds and the use thereof and medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-18 — — US disclosed
US-5143926-A Substituted pyridine-2,4-dicarboxylic acid compounds and methods of use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-01 — — US disclosed
US-5004748-A Substituted pyridine-2,4-dicarboxylic acid derivatives and medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-02 — — US disclosed
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