SCHEMBL31335604

SCHEMBL31335604

COc1cc2c(c(C)c1Cl)C(=O)OC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 9/20 0.38
HSD17B10 Q99714 6/20 0.38
MAPT P10636 4/20 0.38
CYP3A4 P08684 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 4/20 0.33

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
SCHEMBL31335562 0.83 TDP1 (0.35) TDP1L3MBTL1TSHR
SCHEMBL31335652 0.79 TDP1 (0.36) TDP1L3MBTL1ALDH1A1MAPTCYP3A4
SCHEMBL23655043 0.70 ALDH1A1 (0.48) TDP1L3MBTL1KMT2AALDH1A1HSD17B10
SCHEMBL26604723 0.69 TDP1 (0.36) TDP1L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL31014100 0.67 ALDH1A1 (0.41) TDP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL26604721 0.67 ALDH1A1 (0.41) TDP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL1640544 0.67 TDP1 (0.39) TDP1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13083105 0.67 TDP1 (0.39) TDP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL18231233 0.67 KMT2A (0.42) TDP1L3MBTL1KMT2AALDH1A1HSD17B10
SCHEMBL15348611 0.67 TDP1 (0.58) TDP1L3MBTL1KMT2AALDH1A1HSD17B10

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed