SCHEMBL9768023

SCHEMBL9768023

O=C(CNc1ccc(F)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.51
ALPG P10696 5/20 0.51
SNCA P37840 2/20 0.48
TOP1 P11387 1/20 0.47
PLAA Q9Y263 2/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 2/20 0.46
USP2 O75604 2/20 0.46
POLB P06746 2/20 0.46
JAK2 O60674 1/20 0.46
LMNA P02545 1/20 0.46
AGTR1 P30556 2/20 0.43

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
SCHEMBL15020831 0.85 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9768193 0.84 CA12 (0.61) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768107 0.84 ALPL (0.51) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768082 0.84 ALPL (0.51) ALPLALPGSNCATOP1PLAA
SCHEMBL9768260 0.84 ERCC1 (0.60) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768118 0.84 P2RX1 (0.49) ALPLALPGSNCATOP1PLAA
SCHEMBL9768099 0.84 AKR1C3 (0.49) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768092 0.81 CA1 (0.64) ALPLALPGPLAAERCC1ERCC4
SCHEMBL15033948 0.79 ALDH1A1 (0.48) SNCAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL9768311 0.79 ERCC1 (0.51) ALPLALPGPLAAERCC1ERCC4

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed