SCHEMBL28299855

SCHEMBL28299855

Cc1cc(C)cc(C(C)(O)c2nc3ccccc3s2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 12/20 0.68
▸ TNF P01375 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL19462840 0.79 CASR (1.00) CASRLMNAALDH1A1HPGDNPC1
SCHEMBL29468186 0.79 CASR (1.00) CASRLMNAALDH1A1HPGDNPC1
SCHEMBL7544923 0.77 CASR (0.64) CASRTNFNOD1LMNAALDH1A1
SCHEMBL29226448 0.77 CASR (0.71) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL30927954 0.77 CASR (0.71) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29226445 0.77 CASR (0.71) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29033658 0.76 CASR (0.46) CASRLMNAALDH1A1L3MBTL1UBE2M
SCHEMBL227210 0.73 CASR (0.58) CASRTNFNOD1LMNAALDH1A1
SCHEMBL108180 0.73 CASR (0.58) CASRTNFNOD1LMNAALDH1A1
SCHEMBL28042677 0.73 CASR (0.54) CASRTNFNOD1LMNAALDH1A1

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-109996453-A Compounds for modulating calcium sensitive receptor activity for modulating kokumi taste and pet foods containing same 马斯公司 2019-07-09 — — CN disclosed
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