SCHEMBL31706270

SCHEMBL31706270

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.50
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CAPN1 P07384 2/20 0.43
▸ ITGB1 P05556 5/20 0.42
▸ ITGA4 P13612 5/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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 0.92 KMT2A (0.49) IL1RNERAP2ERAP1HDAC1HDAC2
SCHEMBL31705403 0.89 ITGB1 (0.46) HDAC1HDAC2ALDH1A1CYP2D6CYP2C9
SCHEMBL31706389 0.88 KLK5 (0.43) IL1RNERAP2ERAP1HDAC1HDAC2
SCHEMBL31551508 0.88 IL1RN (0.45) IL1RNERAP2ERAP1HDAC1HDAC2
SCHEMBL31551600 0.86 IL1RN (0.42) IL1RNERAP2ERAP1HDAC1HDAC2
SCHEMBL31706829 0.84 CAPN1 (0.43) HDAC1HDAC2ALDH1A1CYP2D6CYP2C9
SCHEMBL31706533 0.83 ITGB1 (0.45) HDAC1HDAC2ALDH1A1CYP2D6CYP2C9
SCHEMBL31707058 0.83 P2RX7 (0.46) MEN1KMT2AP2RX7
SCHEMBL31705783 0.81 CTSL (0.44) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705678 0.80 KMT2A (0.38) HDAC1HDAC2ALDH1A1CYP2D6CYP2C9

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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