SCHEMBL29019396

SCHEMBL29019396

Oc1ccc(F)c(F)c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 11/20 0.44
▸ DHFR P00374 2/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ TRPV3 Q8NET8 1/20 0.40
▸ ACLY P53396 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ GALR1 P47211 1/20 0.39

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
SCHEMBL29441254 0.83 DHODH (0.50) DHODHDHFRXDHGALR1
SCHEMBL20550965 0.75 FFAR1 (0.43) DHODHTHRATHRBP2RX1TRPV3
SCHEMBL25836138 0.74 DHODH (0.49) DHODHDHFRXDHGALR1
SCHEMBL25836130 0.74 DHODH (0.49) DHODHDHFRXDHGALR1
SCHEMBL24180475 0.74 DHODH (0.49) DHODHDHFRXDHGALR1
SCHEMBL30045573 0.73 THRA (0.45) DHODHTHRATHRBP2RX1TRPV3
SCHEMBL3560562 0.73 DHODH (0.40) DHODHDHFRTRPV3XDHGALR1
SCHEMBL1031161 0.73 HSD17B1 (0.52) DHODHXDHGALR1
SCHEMBL5379608 0.71 ESR1 (0.55) DHODHXDHGALR1
SCHEMBL29320206 0.71 AURKA (0.49) DHODHXDHGALR1

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-110003123-B Modulators of the PGI2 receptor for the treatment of prostacyclin (PGI 2) receptor related disorders 艾尼纳制药公司 2023-06-23 — — CN disclosed
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