SCHEMBL28492549

SCHEMBL28492549

Cc1cc(C(=O)O)c(C)c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATR Q13535 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16770460 0.76 ATR (0.38) KDM4EATRMAPTBRD9MEN1
SCHEMBL2970156 0.75 GPR35 (0.48) LCKKDM4EALDH1A1ATRGAA
SCHEMBL7412635 0.75 LCK (0.43) LCKATRCA12CA1CA9
SCHEMBL21871197 0.74 CA12 (0.46) LCKSORT1CA12CA1CA9
SCHEMBL31329817 0.74 LCK (0.40) LCKATRBRD9MEN1KMT2A
SCHEMBL8201135 0.72 KDM4E (0.49) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL12233051 0.72 MAPKAPK2 (0.44) LCKATRMEN1NPC1GAA
SCHEMBL30493907 0.72 KEAP1 (0.51) LCKPOLBATRMEN1NPC1
SCHEMBL21238856 0.72 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL27537751 0.72 LCK (0.44) LCKKDM4EATRMAPTBRD9

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-111902404-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2020-11-06 — — CN disclosed
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