SCHEMBL31551356

SCHEMBL31551356

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 8/20 0.41
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ CAPN1 P07384 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL31551208 0.93 KMT2A (0.38) YAP1ITGB1ITGA4KMT2A
SCHEMBL31551630 0.93 ITGB1 (0.38) YAP1PSEN1PSEN2APH1BNCSTN
SCHEMBL31551284 0.92 KMT2A (0.41) YAP1ITGB1ITGA4CAPN1GAA
SCHEMBL31551661 0.92 KMT2A (0.41) YAP1ITGB1ITGA4CAPN1GAA
SCHEMBL31551639 0.92 P2RX7 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31551563 0.90 YAP1 (0.39) YAP1ITGB1ITGA4CAPN1GAA
SCHEMBL31551564 0.88 YAP1 (0.39) YAP1ITGB1ITGA4CAPN1GAA
SCHEMBL30862576 0.88 P2RX7 (0.34) YAP1ITGB1ITGA4
SCHEMBL31551374 0.88 YAP1 (0.41) YAP1ITGB1ITGA4CAPN1KDM4E
SCHEMBL31551359 0.88 CTSL (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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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