SCHEMBL30730236

SCHEMBL30730236

COC(=O)c1ccc(Cn2cc(C(=O)O)cn2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GRM2 Q14416 1/20 0.43
▸ PLA2G4A P47712 1/20 0.43
▸ EGLN1 Q9GZT9 3/20 0.42
▸ ALKBH1 Q13686 1/20 0.41
▸ KLKB1 P03952 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ PARP1 P09874 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
SCHEMBL4785951 0.84 HSD17B10 (0.59) HSD17B10L3MBTL1KDM4EGRM2KLKB1
SCHEMBL18794996 0.79 GRM2 (0.53) HSD17B10MAPK1L3MBTL1KDM4EGRM2
SCHEMBL369349 0.78 L3MBTL1 (0.58) HSD17B10L3MBTL1PLA2G4AEGLN1ALKBH1
SCHEMBL15520232 0.78 HSD17B10 (0.54) HSD17B10L3MBTL1KDM4EPLA2G4AEGLN1
SCHEMBL27363885 0.78 HSD17B10 (0.43) HSD17B10MAPK1L3MBTL1KDM4EKLKB1
SCHEMBL30730185 0.78 POLB (0.62) L3MBTL1KDM4EPOLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL31549317 0.76 L3MBTL1 (0.57) HSD17B10L3MBTL1PLA2G4AEGLN1ALKBH1
SCHEMBL1912400 0.76 HSD17B10 (0.77) HSD17B10L3MBTL1KDM4EKLKB1POLB
SCHEMBL30660584 0.76 HDAC3 (0.59) ALDH1A1
SCHEMBL29276689 0.76 HDAC3 (0.59) ALDH1A1

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-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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