SCHEMBL5175085

SCHEMBL5175085

CCCc1c(C(=O)O)cc(CO)c(C)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.38
▸ LDHB P07195 3/20 0.38
▸ PTPN1 P18031 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA4 P48169 2/20 0.34
▸ GABRE P78334 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34
▸ GABRG1 Q8N1C3 2/20 0.34
▸ GABRG3 Q99928 2/20 0.34

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
SCHEMBL5174151 0.85 ALDH1A1 (0.42) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL5175754 0.74 LDHA (0.33) LDHALDHBKDM4ETDP1PSMD14
SCHEMBL4313085 0.74 PPARA (0.43) PTPN1GABRPGABRDGABRA1GABRB1
SCHEMBL6266716 0.73 KAT8 (0.46) PTPN1KDM4EGABRPGABRDGABRA1
SCHEMBL316590 0.73 KDM4E (0.40) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL5349926 0.73 PRKCI (0.38) LDHALDHBPTPN1PTPN11GABRP
SCHEMBL4317058 0.72 PPARA (0.45) PTPN1MCL1PPARG
SCHEMBL14989173 0.72 LDHA (0.49) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL3352707 0.71 ALDH1A1 (0.41) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL29240843 0.70 PTPN1 (0.43) LDHALDHBPTPN1PTPN11KDM4E

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
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
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