SCHEMBL31551374

SCHEMBL31551374

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 7/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ CAPN1 P07384 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ IL2RA P01589 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ IL2 P60568 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
SCHEMBL31551641 0.95 P2RX7 (0.40) YAP1P2RX7ITGB1ITGA4KMT2A
SCHEMBL31551661 0.95 KMT2A (0.41) YAP1P2RX7CAPN1ITGB1ITGA4
SCHEMBL31551284 0.95 KMT2A (0.41) YAP1P2RX7CAPN1ITGB1ITGA4
SCHEMBL31551539 0.94 P2RX7 (0.39) YAP1P2RX7ITGB1ITGA4NOS2
SCHEMBL31551512 0.94 HDAC1 (0.42) YAP1P2RX7ITGB1ITGA4KMT2A
SCHEMBL31551320 0.93 P2RX7 (0.40) YAP1P2RX7CAPN1ITGB1ITGA4
SCHEMBL31551435 0.92 P2RX7 (0.44) P2RX7ITGB1ITGA4KMT2A
SCHEMBL31551197 0.92 P2RX7 (0.39) YAP1P2RX7CAPN1ITGB1ITGA4
SCHEMBL31551361 0.92 P2RX7 (0.42) YAP1P2RX7CAPN1ITGB1ITGA4
SCHEMBL31551270 0.92 P2RX7 (0.37) YAP1P2RX7ITGB1ITGA4

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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