SCHEMBL9768107

SCHEMBL9768107

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 4/20 0.51
▸ ALPG P10696 4/20 0.51
▸ TOP1 P11387 1/20 0.47
▸ PLAA Q9Y263 1/20 0.47
▸ AGTR1 P30556 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ ERCC1 P07992 2/20 0.47
▸ ERCC4 Q92889 2/20 0.47
▸ P2RX1 P51575 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 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
SCHEMBL6203064 0.85 ALDH1A1 (0.56) AGTR1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL9768082 0.84 ALPL (0.51) ALPLALPGTOP1PLAAAGTR1
SCHEMBL9768023 0.84 ALPL (0.51) ALPLALPGTOP1PLAAAGTR1
SCHEMBL9768193 0.84 CA12 (0.61) ALPLALPGTOP1PLAAAGTR1
SCHEMBL9768260 0.84 ERCC1 (0.60) ALPLALPGTOP1PLAAAGTR1
SCHEMBL9768088 0.84 AKR1C3 (0.49) ALPLALPGTOP1PLAAAGTR1
SCHEMBL9768092 0.81 CA1 (0.64) ALPLALPGPLAAAGTR1ALDH1A1
SCHEMBL9768118 0.81 P2RX1 (0.49) ALPLALPGTOP1PLAAERCC1
SCHEMBL19707317 0.80 AGTR1 (0.48) AGTR1ALDH1A1P2RX1GAARAB9A
SCHEMBL9767998 0.80 ALPG (0.50) ALPLALPGTOP1PLAAAGTR1

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
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