SCHEMBL25785178

SCHEMBL25785178

CC(=O)OCC1O[C@@H](Oc2ccc(C(=O)O)cc2O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.52
▸ PDIA4 P13667 1/20 0.52
▸ PDIA3 P30101 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA5A P35218 2/20 0.47

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
SCHEMBL24297576 1.00 P4HB (0.52) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL25726255 1.00 P4HB (0.52) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL25721227 1.00 P4HB (0.52) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL25721339 1.00 P4HB (0.52) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL24140315 0.92 P4HB (0.44) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL25721222 0.89 TSHR (0.51) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL26714108 0.88 CA12 (0.56) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL14705244 0.88 TSHR (0.50) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL25721211 0.88 CA12 (0.56) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL4369352 0.88 CA1 (0.53) P4HBPDIA4PDIA3TSHRHSD17B10

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-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 — — WO disclosed
Send feedback