SCHEMBL31705319

SCHEMBL31705319

CO[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ GYS1 P13807 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL31705655 0.93 CTSL (0.44) CTSLP2RX7KMT2ANPC1ALDH1A1
SCHEMBL31706325 0.91 ALDH1A1 (0.43) CTSLP2RX7KMT2ANPC1ALDH1A1
SCHEMBL31706964 0.91 TSHR (0.37) CTSLP2RX7KMT2AALDH1A1CYP2D6
SCHEMBL31706533 0.90 ITGB1 (0.45) CTSLP2RX7KMT2AALDH1A1CYP2D6
SCHEMBL31706128 0.89 P2RX7 (0.45) CTSLP2RX7ITGB1ITGA4
SCHEMBL31705783 0.87 CTSL (0.44) CTSLP2RX7KMT2ANPC1ALDH1A1
SCHEMBL31706979 0.86 P2RX7 (0.38) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL30862575 0.84 P2RX7 (0.47) P2RX7KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL31706976 0.84 SLC1A2 (0.39) P2RX7KMT2ANPC1ALDH1A1CYP2D6
SCHEMBL31706625 0.83 ITGB1 (0.38) CTSLP2RX7KMT2AALDH1A1CYP2D6

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-2025217020-A1 SUBSTITUTED 5-MEMBERED RING MOLECULES AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2025-10-16 — — WO disclosed
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