SCHEMBL31063281

SCHEMBL31063281

CCOC(=O)Cc1cc(OC(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 2/20 0.43
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL3800298 0.88 HSD17B10 (0.67) HSD17B10MEN1KMT2AALDH1A1DPP4
SCHEMBL30104116 0.88 HSD17B10 (0.67) HSD17B10MEN1KMT2AALDH1A1DPP4
SCHEMBL8282635 0.82 CYP3A4 (0.51) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL23616869 0.81 MAPK8 (0.48) HSD17B10MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21455827 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL31063033 0.80 DPP4 (0.41) HSD17B10ALDH1A1DPP4TSHR
SCHEMBL6343901 0.80 DPP4 (0.47) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL31063213 0.78 DPP4 (0.46) HSD17B10MEN1KMT2AALDH1A1DPP4
SCHEMBL2190989 0.78 DPP4 (0.49) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL31053274 0.78 KDM4E (0.50) HSD17B10MEN1KMT2AALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed