SCHEMBL31706035

SCHEMBL31706035

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(Cl)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ P2RX7 Q99572 5/20 0.38
▸ SDCBP O00560 2/20 0.35
▸ SDC2 P34741 2/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL31705736 0.93 TSHR (0.39) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31706821 0.93 SDCBP (0.38) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31705151 0.91 METAP2 (0.39) METAP2TSHRALDH1A1CYP2D6CYP2C9
SCHEMBL31706325 0.86 ALDH1A1 (0.43) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31706731 0.85 GRN (0.45) METAP2TSHRALDH1A1CYP2D6CYP2C9
SCHEMBL31705403 0.84 ITGB1 (0.46) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31706964 0.84 TSHR (0.37) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31706625 0.84 ITGB1 (0.38) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31705678 0.83 KMT2A (0.38) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31706114 0.83 KMT2A (0.39) TSHRALDH1A1CYP2D6CYP2C9CYP2C19

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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