SCHEMBL9768033

SCHEMBL9768033

Cc1c(NCC(=O)c2ccccc2)ccc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.53
▸ AGTR1 P30556 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CES1 P23141 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
SCHEMBL9768285 0.82 AGTR1 (0.53) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9768156 0.82 AGTR1 (0.53) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9768332 0.82 AGTR1 (0.53) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9768244 0.81 NPC1 (0.49) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9768040 0.79 ALDH1A1 (0.52) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9768037 0.77 AGTR1 (0.48) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL570885 0.77 AGTR1 (0.54) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL151049 0.76 AGTR1 (0.56) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5320792 0.76 RAB9A (0.65) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9768236 0.73 AGTR1 (0.53) RAB9AAGTR1KDM4ESMN1; SMN2ALDH1A1

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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