SCHEMBL28413644

SCHEMBL28413644

CC(C)(C)c1ccc(OP(O)O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ ESRRA P11474 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ NR1H4 Q96RI1 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ATP2A2 P16615 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATP2A3 Q93084 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL30371668 0.88 CA2 (0.39) CA2CA1ALDH1A1ESRRAGAA
SCHEMBL28433547 0.85 ALDH1A1 (0.56) ALDH1A1ESRRAGAANR1H4ALOX15
SCHEMBL1881756 0.83 CA1 (0.38) CA2CA1ALDH1A1ESRRAGAA
SCHEMBL28829666 0.79 ALDH1A1 (0.30) CA2CA1ALDH1A1
SCHEMBL29287253 0.79 TYR (0.38) CA2CA1ALDH1A1GAAALOX15
SCHEMBL27267523 0.78 CA2 (0.41) CA2CA1ALDH1A1ESRRAALOX15
SCHEMBL8829995 0.78 CA2 (0.61) CA2CA1ALDH1A1GAAALOX15
SCHEMBL29108639 0.77 ALDH1A1 (0.33) CA2CA1ALDH1A1ESRRAGAA
SCHEMBL13474892 0.76 ESRRA (0.49) CA2CA1ALDH1A1ESRRAGAA
SCHEMBL5009509 0.74 ALDH1A1 (0.55) CA2CA1ALDH1A1GAAALOX15

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-111150196-A Electronic device package containing dilatant component 翁秋梅 2020-05-15 — — CN disclosed
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