SCHEMBL31551641

SCHEMBL31551641

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.40
▸ ITGB1 P05556 6/20 0.39
▸ ITGA4 P13612 6/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ YAP1 P46937 7/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.36

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
SCHEMBL31551374 0.95 YAP1 (0.41) P2RX7ITGB1ITGA4KMT2AYAP1
SCHEMBL31551661 0.94 KMT2A (0.41) P2RX7ITGB1ITGA4KMT2AYAP1
SCHEMBL31551284 0.94 KMT2A (0.41) P2RX7ITGB1ITGA4KMT2AYAP1
SCHEMBL31551512 0.94 HDAC1 (0.42) P2RX7ITGB1ITGA4KMT2AYAP1
SCHEMBL31551539 0.94 P2RX7 (0.39) P2RX7ITGB1ITGA4KMT2AYAP1
SCHEMBL31551197 0.93 P2RX7 (0.39) P2RX7ITGB1ITGA4YAP1
SCHEMBL31551435 0.92 P2RX7 (0.44) P2RX7ITGB1ITGA4KMT2A
SCHEMBL31551208 0.91 KMT2A (0.38) ITGB1ITGA4KMT2ANPSR1YAP1
SCHEMBL31551320 0.91 P2RX7 (0.40) P2RX7ITGB1ITGA4KMT2AYAP1
SCHEMBL31551361 0.91 P2RX7 (0.42) P2RX7ITGB1ITGA4KMT2AYAP1

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
WO-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
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