SCHEMBL26093038

SCHEMBL26093038

CCOC(=O)c1ccc(C)c([C@H]2CCN(C(=O)O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
DRD3 P35462 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
NPY2R P49146 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
SCHEMBL26092030 1.00 FDFT1 (0.46) FDFT1ALDH1A1MAPK1DRD3TDP1
SCHEMBL26428969 0.86 NPSR1 (0.47) FDFT1ALDH1A1TDP1POLBKDM4E
SCHEMBL26428976 0.86 NPSR1 (0.47) FDFT1ALDH1A1TDP1POLBKDM4E
SCHEMBL31015904 0.86 NPSR1 (0.47) FDFT1ALDH1A1TDP1POLBKDM4E
SCHEMBL26092608 0.86 NPSR1 (0.47) FDFT1ALDH1A1TDP1POLBKDM4E
SCHEMBL30349607 0.86 NPSR1 (0.47) FDFT1ALDH1A1TDP1POLBKDM4E
SCHEMBL31015900 0.86 NPSR1 (0.47) FDFT1ALDH1A1TDP1POLBKDM4E
SCHEMBL3040729 0.83 FDFT1 (0.53) FDFT1ALDH1A1TDP1POLBRAB9A
SCHEMBL31313650 0.82 PRMT1 (0.54) ALDH1A1MAPK1KDM4E
SCHEMBL26089322 0.82 PRMT1 (0.54) ALDH1A1MAPK1KDM4E

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
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO disclosed
WO-2023066834-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-04-27 WO disclosed