SCHEMBL20917425

SCHEMBL20917425

CCCCc1c(O)ccc(C(C)(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TYR P14679 3/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ ATM Q13315 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
SCHEMBL27600500 0.84 HTT (0.42) HTTNPSR1NPC1HPGDMAPK1
SCHEMBL28497299 0.83 ALDH1A1 (0.41) HTTHPGDTYRESR1ESR2
SCHEMBL8585742 0.82 HPGD (0.43) HTTNPSR1NPC1HPGDMAPK1
SCHEMBL8891283 0.82 TYR (0.49) HTTHPGDTYRESR1ALDH1A1
SCHEMBL11660171 0.82 TYR (0.49) HTTHPGDTYRESR1ALDH1A1
SCHEMBL11202288 0.82 TYR (0.49) HTTHPGDTYRESR1ALDH1A1
SCHEMBL27822394 0.81 HPGD (0.46) HTTNPSR1NPC1HPGDMAPK1
SCHEMBL7950540 0.81 TYR (0.53) HTTNPSR1NPC1HPGDMAPK1
SCHEMBL7913919 0.79 ALDH1A1 (0.48) HTTNPSR1NPC1HPGDMAPK1
SCHEMBL11340841 0.79 SKP2 (0.43) HTTNPSR1NPC1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697835-A1 FLAME-RETARDANT AND COLOR-STABLE POLYAMIDE MOLDING COMPOUNDS Clariant Plastics & Coatings Ltd (CH) 2020-08-26 — — EP disclosed
WO-2019076688-A1 FLAME-RETARDANT AND COLOR-STABLE POLYAMIDE MOLDING COMPOUNDS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-04-25 — — WO disclosed
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