SCHEMBL28625969

SCHEMBL28625969

CCCCCCCCCCCCCCCc1nc2cc(C(C)(C)C)cc(C(C)(C)C)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NR5A2 O00482 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ GLA P06280 1/20 0.33
▸ GHSR Q92847 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29819607 1.00 HSD17B10 (0.39) HSD17B10MEN1KMT2ARAB9ANPC1
SCHEMBL18593347 0.89 ELANE (0.37) MEN1KMT2ACYP1A2CYP2C19TLR8
SCHEMBL18593352 0.88 LMNA (0.34) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL27996361 0.83 LMNA (0.38) CYP1A2CYP2C19TSHRNR5A2NR5A1
SCHEMBL18593350 0.82 LMNA (0.36) CYP1A2CYP2C19TSHRLMNATP53
SCHEMBL18593346 0.81 MTNR1A (0.42) HSD17B10RAB9ANPC1CYP1A2CYP2C19
SCHEMBL18593349 0.79 LMNA (0.38) CYP1A2CYP2C19TSHRNR5A2NR5A1
SCHEMBL18593348 0.79 LMNA (0.38) CYP1A2CYP2C19TSHRALDH1A1NR5A2
SCHEMBL29460442 0.79 LMNA (0.38) CYP1A2CYP2C19TSHRALDH1A1NR5A2
SCHEMBL18593345 0.77 MAPT (0.45) HSD17B10RAB9ANPC1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957152-B Synthesis method of benzoxazole compound 湖南第一师范学院 2023-11-17 — — CN disclosed
CN-114957152-A Synthetic method of benzoxazole compound 湖南第一师范学院 2022-08-30 — — CN disclosed
CN-113264896-B Synthetic method for preparing benzoxazole compound by oxidizing catechol compound with oxygen 湖南第一师范学院 2022-05-24 — — CN disclosed
CN-113264896-A Synthetic method for preparing benzoxazole compound by oxidizing catechol compound with oxygen 湖南第一师范学院 2021-08-17 — — CN disclosed
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