SCHEMBL23673817

SCHEMBL23673817

CCCCc1cc(C(C)(C)C)ccc1C.OP(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.39
▸ ESR2 Q92731 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ TYR P14679 1/20 0.38
▸ HTR1D P28221 2/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL25574426 0.93 ESR1 (0.40) ESR1ESR2PGRRORARORC
SCHEMBL21531653 0.84 CYP2D6 (0.42) CYP2D6HTR1DNR1H4ALDH1A1HPGD
SCHEMBL21449928 0.83 CYP2D6 (0.41) ESR1ESR2CYP2D6HTR1DNR1H4
SCHEMBL28677421 0.81 TYR (0.41) ESR1ESR2PGRRORARORC
SCHEMBL22437161 0.80 CYP2D6 (0.40) CYP2D6HTR1DCNR1CNR2NR1H4
SCHEMBL673962 0.78 CYP2D6 (0.57) ESR1ESR2CYP2D6TYRALDH1A1
SCHEMBL30498006 0.78 GHSR (0.38) ESR1TYRCNR1CNR2GHSR
SCHEMBL9155665 0.78 CYP2D6 (0.43) ESR1CYP2D6TYRHTR1DNR1H4
SCHEMBL23761497 0.77 SKP2 (0.37) ESR1ESR2TYRCNR1CNR2
SCHEMBL11402245 0.77 RXRA (0.42) CYP2D6HTR1DNR1H4ALDH1A1HPGD

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
CN-115175965-A Flame retardant composition, flame-retardant synthetic resin composition, and molded article 株式会社ADEKA 2022-10-11 — — CN disclosed
CN-114929801-A Flame retardant composition, flame-retardant resin composition, and molded article 株式会社ADEKA 2022-08-19 — — CN disclosed
WO-2021149732-A1 FLAME RETARDANT AGENT COMPOSITION, FLAME-RETARDANT RESIN COMPOSITION, AND MOLDED BODY 株式会社ADEKA 2021-07-29 — — WO disclosed
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