SCHEMBL9768088

SCHEMBL9768088

O=C(CNc1cccc(Cl)c1)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
ALPL P05186 4/20 0.48
ALPG P10696 4/20 0.48
TOP1 P11387 1/20 0.48
PLAA Q9Y263 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
P2RX1 P51575 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9768107 0.84 ALPL (0.51) ALPLALPGTOP1PLAAMMP1
SCHEMBL9768260 0.83 ERCC1 (0.60) AKR1C3ALPLALPGTOP1PLAA
SCHEMBL9768047 0.83 CA12 (0.55) AKR1C3ALPLALPGTOP1PLAA
SCHEMBL9768241 0.83 AKR1C3 (0.49) AKR1C3ALPLALPGTOP1PLAA
SCHEMBL9768099 0.83 AKR1C3 (0.49) AKR1C3ALPLALPGTOP1PLAA
SCHEMBL9768052 0.79 ALPG (0.50) ALPLALPGTOP1PLAACA12
SCHEMBL9768234 0.77 INSR (0.57) AKR1C3ALPLALPGPLAACA12
SCHEMBL9767998 0.77 ALPG (0.50) ALPLALPGTOP1PLAAP2RX1
SCHEMBL19707256 0.76 ERCC5 (0.55) AKR1C3ALDH1A1MAPTMEN1KMT2A
SCHEMBL9768134 0.76 ALPG (0.52) ALPLALPGTOP1PLAACA12

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