SCHEMBL28009779

SCHEMBL28009779

[CH2]CCCCCC/C=C/c1c(O)c(Cl)c(C)c(C=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ MAOB P27338 1/20 0.30

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
SCHEMBL28009777 1.00 DHODH (0.35) DHODHOPRM1MAOB
SCHEMBL28818537 0.99 DHODH (0.36) DHODHOPRM1MAOB
SCHEMBL3908785 0.88 OPRM1 (0.45) OPRM1
SCHEMBL3897938 0.88 OPRM1 (0.45) OPRM1
SCHEMBL3900975 0.88 OPRM1 (0.45) OPRM1
SCHEMBL3900984 0.86 OPRM1 (0.46) DHODHOPRM1
SCHEMBL3903713 0.81 TYMP (0.39) DHODHOPRM1MAOB
SCHEMBL3903710 0.81 TYMP (0.39) DHODHOPRM1MAOB
SCHEMBL10048510 0.81 ALDH1A1 (0.40) DHODH
SCHEMBL28009304 0.80 DHODH (0.47) DHODHMAOB

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
CN-104582694-A Dihydroorotic acid dehydrogenase inhibitor NAI INC 2015-04-29 — — CN disclosed
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