SCHEMBL24012368

SCHEMBL24012368

Cc1cc2ccc(OCC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ NCF1 P14598 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL24012369 0.90 MAOB (0.45) KMT2AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL24012357 0.85 KMT2A (0.53) KMT2AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL24012367 0.80 MAOB (0.38) KMT2AHSD17B10KDM4EALDH1A1CA12
SCHEMBL24012361 0.80 CA12 (0.48) KMT2AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL21806248 0.78 CA12 (0.40) HSD17B10HPGDKDM4EALDH1A1NCF1
SCHEMBL24012362 0.77 ALDH1A1 (0.35) KMT2AHSD17B10KDM4EALDH1A1CA12
SCHEMBL24012355 0.74 HPGD (0.43) KMT2AHPGDKDM4EALDH1A1GLA
SCHEMBL18885626 0.73 SMN1; SMN2 (0.42) KMT2AHPGDCA12CA1CA2
SCHEMBL12690424 0.72 SMN1; SMN2 (0.40) KMT2AHPGDCA12CA1CA2
SCHEMBL30837144 0.72 SMN1; SMN2 (0.40) KMT2AHPGDCA12CA1CA2

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
US-20210349101-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. 2021-11-11 — — US disclosed
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