SCHEMBL30918231

SCHEMBL30918231

C[C@@H](OCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ OPRD1 P41143 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ FUCA1 P04066 1/20 0.39
▸ PTPN1 P18031 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
SCHEMBL31089986 1.00 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CYP3A4
SCHEMBL30712765 1.00 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CYP3A4
SCHEMBL29101925 1.00 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CYP3A4
SCHEMBL30620557 0.92 KMT2A (0.43) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL30712760 0.92 KMT2A (0.43) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL30918284 0.90 PTPN1 (0.45) OPRD1PTPN1
SCHEMBL30918202 0.90 PTPN1 (0.45) OPRD1PTPN1
SCHEMBL29101923 0.89 KMT2A (0.50) KMT2AOPRD1EPHX2CASP3
SCHEMBL30918204 0.88 CTSB (0.48) PTPN1
SCHEMBL31089971 0.87 OPRD1 (0.45) OPRD1PTPN1

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-2024109840-A1 FUSED RING COMPOUND, CONJUGATE THEREOF AND USE THEREOF 康诺亚生物医药科技(成都)有限公司 2024-05-30 — — WO disclosed
Send feedback