SCHEMBL31140673

SCHEMBL31140673

COC(=O)c1cc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)c2[nH]ccc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.43
▸ ALOX5AP P20292 3/20 0.41
▸ F2RL3 Q96RI0 4/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL25283904 1.00 P2RX7 (0.43) P2RX7ALOX5APF2RL3FEN1ALDH1A1
SCHEMBL25245465 1.00 P2RX7 (0.43) P2RX7ALOX5APF2RL3FEN1ALDH1A1
SCHEMBL25782151 0.91 ALOX5AP (0.44) P2RX7ALOX5APF2RL3FEN1ALDH1A1
SCHEMBL25236708 0.83 ALOX5AP (0.38) ALOX5APF2RL3FEN1MEN1KMT2A
SCHEMBL25283402 0.83 ALOX5AP (0.38) ALOX5APF2RL3FEN1MEN1KMT2A
SCHEMBL30478878 0.83 ALOX5AP (0.38) ALOX5APF2RL3FEN1MEN1KMT2A
SCHEMBL25283763 0.80 ALOX5AP (0.43) P2RX7ALOX5APF2RL3FEN1ALDH1A1
SCHEMBL25239176 0.80 ALOX5AP (0.43) P2RX7ALOX5APF2RL3FEN1ALDH1A1
SCHEMBL25782035 0.80 ALOX5AP (0.40) ALOX5APF2RL3FEN1
SCHEMBL25282163 0.78 ALOX5AP (0.40) P2RX7ALOX5APF2RL3FEN1ALDH1A1

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-118525018-A Bialkyne compound and application thereof 上海艾力斯医药科技股份有限公司 2024-08-20 — — CN disclosed
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