SCHEMBL30760583

SCHEMBL30760583

CCOC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1CC2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PPM1B O75688 2/20 0.56
PTPN1 P18031 2/20 0.56
PPP1CC P36873 2/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.48
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL22579811 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL22623107 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL16728468 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL11247130 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL16728379 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL19387861 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL23626950 1.00 POLB (0.61) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL30901531 0.93 PPM1B (0.49) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL19318634 0.89 POLB (0.69) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL7594331 0.89 POLB (0.69) POLBAPEX1TDP1PPM1BPTPN1

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
CN-117417355-A Fused heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-01-19 CN disclosed