SCHEMBL13485122

SCHEMBL13485122

Cc1[nH]c2cccc(OC(C=O)C(C)C)c2c1C(=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 12/20 0.41
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL14514453 0.85 PLA2G2A (0.46) PLA2G2AMAPTMEN1GABRPGABRD
SCHEMBL13597693 0.81 MAPT (0.42) PLA2G2AMAPTMEN1GABRPGABRD
SCHEMBL13484866 0.79 PLA2G2A (0.38) PLA2G2AMAPTMEN1GABRPGABRD
SCHEMBL14339077 0.77 GRK6 (0.48) PLA2G2AMAPTMEN1KMT2ATDP1
SCHEMBL13485088 0.75 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL4758276 0.73 PLA2G2A (0.45) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL14530080 0.73 PLA2G2A (0.46) PLA2G2AMAPTMEN1KMT2ATDP1
SCHEMBL13484713 0.70 PLA2G2A (0.42) PLA2G2AMAPTMEN1KMT2APLA2G1B
SCHEMBL13485090 0.69 HTR1A (0.45) MAPTMEN1GABRPGABRDGABRA1
SCHEMBL14531285 0.68 PLA2G2A (0.47) PLA2G2AMAPTTDP1PLA2G1BPLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 — — US disclosed
Send feedback