SCHEMBL30553151

SCHEMBL30553151

CCC(C)(C)c1cc(Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HIF1A Q16665 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HSP90AA1 P07900 3/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ HSPA5 P11021 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HSPE1 P61604 1/20 0.44

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
SCHEMBL18470537 0.85 MEN1 (0.41) ALOX15CYP3A4SMN1; SMN2HPGDHTT
SCHEMBL2437476 0.85 ALOX15 (0.44) ALOX15CYP3A4SMN1; SMN2HPGDHTT
SCHEMBL11372242 0.81 HSP90AA1 (0.44) ALOX15CYP3A4SMN1; SMN2HPGDHTT
SCHEMBL133971 0.80 ALDH1A1 (0.63) ALOX15HPGDHTTHIF1ALMNA
SCHEMBL30026979 0.80 ALDH1A1 (0.63) ALOX15HPGDHTTHIF1ALMNA
SCHEMBL18409024 0.80 TP53 (0.41) CYP3A4SMN1; SMN2HTTMEN1KMT2A
SCHEMBL19997075 0.80 TSHR (0.41) ALOX15CYP3A4SMN1; SMN2HPGDMEN1
SCHEMBL768507 0.79 ALDH1A1 (0.61) ALOX15CYP3A4SMN1; SMN2HPGDHTT
SCHEMBL11317922 0.79 HSD17B10 (0.50) ALOX15CYP3A4SMN1; SMN2HPGDHTT
SCHEMBL24000930 0.78 MAPK1 (0.39) CYP3A4SMN1; SMN2HTTMEN1KMT2A

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-113301802-B Synergistic preservative compositions, methods of making and methods of use thereof ISP投资有限公司 2023-08-25 — — CN disclosed
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