SCHEMBL17779430

SCHEMBL17779430

Ic1ccc(CCCCCc2ccc(-c3ccc4c(c3)CC4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 4/20 0.38
▸ RARB P10826 7/20 0.35
▸ RARA P10276 2/20 0.35
▸ RARG P13631 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL24336873 1.00 FFAR4 (0.38) FFAR4RARBRARARARGCYP11B1
SCHEMBL19706401 0.85 GRIN2B (0.47) FFAR4GRIN2BSIGMAR1
SCHEMBL25703621 0.83 IGF1R (0.45) FFAR4RARBRARARARGTSHR
SCHEMBL18214053 0.83 RARB (0.38) FFAR4RARBRARARARGCYP11B1
SCHEMBL29313027 0.83 MAOB (0.47) FFAR4CYP11B1CYP11B2HSD17B10MEN1
SCHEMBL25014398 0.83 MAOB (0.47) FFAR4CYP11B1CYP11B2HSD17B10MEN1
SCHEMBL12653577 0.76 UNG (0.46) RARBRARARARGTSHRHSD17B10
SCHEMBL28284957 0.75 SPHK2 (0.46) HSD17B10ALDH1A1SIGMAR1
SCHEMBL13430018 0.72 SIGMAR1 (0.40) RARBTSHRHSD17B10SIGMAR1
SCHEMBL16682978 0.72 GRIN2B (0.38) GRIN2BSIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023113475-A1 POLYMER AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
WO-2021145639-A1 POLYMER AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 엘지화학 2021-07-22 — — WO disclosed
WO-2016081583-A1 HOLE TRANSPORT MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-05-26 — — WO disclosed
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