SCHEMBL31706389

SCHEMBL31706389

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ ITGB1 P05556 6/20 0.41
▸ ITGA4 P13612 6/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ P2RX7 Q99572 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ IL1RN P18510 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38

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
SCHEMBL31705802 0.90 KMT2A (0.49) KLK5ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706270 0.88 IL1RN (0.50) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705403 0.87 ITGB1 (0.46) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31551193 0.84 P2RX7 (0.46) P2RX7GPR119
SCHEMBL31706829 0.82 CAPN1 (0.43) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31706533 0.81 ITGB1 (0.45) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31707058 0.81 P2RX7 (0.46) KMT2AMEN1P2RX7CTSL
SCHEMBL31705783 0.79 CTSL (0.44) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31706972 0.79 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL31705678 0.78 KMT2A (0.38) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19

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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