SCHEMBL10719947

SCHEMBL10719947

COc1ccc(-n2cnc(OCCC(=O)O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PKM P14618 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.41
FFAR1 O14842 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL10719033 0.84 MAPT (0.45) MAPTALDH1A1KDM4EL3MBTL1RXRA
SCHEMBL6616555 0.82 CYP1A2 (0.42) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL10721964 0.81 MAPT (0.47) MAPTALDH1A1KDM4ERXRARXRB
SCHEMBL4548446 0.80 FFAR1 (0.48) MAPTALDH1A1KDM4EPTGS2L3MBTL1
SCHEMBL6616454 0.77 P2RX7 (0.43) MAPTALDH1A1KDM4EPTGS2RXRA
SCHEMBL10360298 0.76 MAPT (0.42) MAPTALDH1A1KDM4EPTGS2L3MBTL1
SCHEMBL6615172 0.75 RAB9A (0.44) MAPTALDH1A1KDM4EPTGS2L3MBTL1
SCHEMBL1807043 0.75 L3MBTL1 (0.72) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL31301332 0.75 MAPT (0.55) MAPTALDH1A1PTGS2L3MBTL1PKM
SCHEMBL6615927 0.74 P2RX7 (0.40) MAPTALDH1A1KDM4EPTGS2RXRA

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
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP disclosed