SCHEMBL31551624

SCHEMBL31551624

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F)[C@@H](C)OC)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CACNA1H O95180 3/20 0.32
▸ P2RX7 Q99572 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL31551536 0.93 RIPK1 (0.33) CYP2D6CYP2C9P2RX7
SCHEMBL30862579 0.91 P2RX7 (0.33) CYP2D6CYP2C9P2RX7
SCHEMBL31551358 0.91 CTSL (0.32) P2RX7
SCHEMBL31551238 0.89 P2RX7 (0.43) POLBTAS1R3TAS1R1CYP2D6CYP2C9
SCHEMBL31551214 0.89 F2RL1 (0.35) POLBTAS1R3TAS1R1CYP2D6CYP2C9
SCHEMBL31551545 0.88 CTSL (0.35) POLBTAS1R3TAS1R1NOS3NOS1
SCHEMBL31551580 0.87 P2RX7 (0.34) P2RX7
SCHEMBL31551236 0.87 CTSL (0.31) —
SCHEMBL30862568 0.86 P2RX7 (0.33) CYP2D6CYP2C9P2RX7
SCHEMBL30862580 0.86 RIPK1 (0.36) POLBCYP2D6CYP2C9P2RX7

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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