SCHEMBL17253572

SCHEMBL17253572

CCc1cccc(Cl)c1COc1ccc(NC(=O)C2=C(C(=O)O)CCC2)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 14/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ RORC P51449 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
SCHEMBL17254039 0.90 DHODH (0.62) DHODHNPSR1NPC1NFKB1RAB9A
SCHEMBL247329 0.87 DHODH (1.00) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL248244 0.82 DHODH (0.71) DHODHNPSR1MRGPRX4
SCHEMBL247030 0.82 DHODH (0.77) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL290914 0.81 DHODH (0.89) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL18418380 0.80 DHODH (0.73) DHODHNPSR1NPC1RAB9APARP1
SCHEMBL247876 0.80 DHODH (0.65) DHODHNPSR1MRGPRX4
SCHEMBL3918407 0.79 DHODH (0.71) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL517712 0.76 DHODH (0.85) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL3915847 0.75 DHODH (0.78) DHODHNPSR1NPC1RAB9ASMN1; SMN2

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
WO-2015169944-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PANOPTES PHARMA GES.M.B.H. (AT) 2015-11-12 — — WO disclosed
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