SCHEMBL27395077

SCHEMBL27395077

CC1(C)CCC(C)(C)c2cc(-c3cccc(Nc4cccc5ccccc45)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.48
▸ CDC25B P30305 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ RARB P10826 4/20 0.45
▸ RARA P10276 3/20 0.45
▸ RARG P13631 3/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ RXRA P19793 1/20 0.39
▸ CCR4 P51679 2/20 0.38
▸ HNF4A P41235 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL26306675 0.88 RAB9A (0.52) FADS1CDC25BALDH1A1TP53CYP3A4
SCHEMBL27395131 0.84 RARB (0.51) ALDH1A1CYP3A4TSHRRARBRARA
SCHEMBL27395182 0.83 RARA (0.48) ALDH1A1TP53CYP3A4TSHRRARB
SCHEMBL26306083 0.83 RARA (0.56) ALDH1A1CYP3A4TSHRRARBRARA
SCHEMBL27395186 0.81 RARA (0.54) ALDH1A1CYP3A4TSHRRARBRARA
SCHEMBL27395221 0.81 RARB (0.43) TP53RARBRARARARGRXRA
SCHEMBL27395129 0.80 RARB (0.57) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL27310071 0.80 RARB (0.41) FADS1ALDH1A1CYP3A4TSHRRARB
SCHEMBL27310134 0.80 RARB (0.47) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL24809293 0.79 CDC25B (0.70) FADS1CDC25BALDH1A1TP53CYP3A4

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-2024096578-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-05-10 — — WO disclosed
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