SCHEMBL31072272

SCHEMBL31072272

CCOC(=O)c1cnc(C(=O)O)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ASPH Q12797 1/20 0.43
▸ KDM8 Q8N371 1/20 0.43
▸ CSNK1D P48730 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ FOS P01100 1/20 0.41
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ELANE P08246 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
SCHEMBL22769843 1.00 KDM4E (0.43) KDM4EHSD17B10ASPHKDM8CSNK1D
SCHEMBL30703822 0.85 ASPH (0.45) KDM4EASPHKDM8SMN1; SMN2LMNA
SCHEMBL31208517 0.82 IGF1R (0.43) KDM4EHSD17B10CSNK1DCYP2C19FOS
SCHEMBL9318633 0.80 KDM4E (0.49) KDM4EASPHKDM8CYP2C9CYP2C19
SCHEMBL29391322 0.79 TSHR (0.50) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL22675456 0.79 RAB9A (0.41) KDM4EHSD17B10CSNK1DCYP2C19FOS
SCHEMBL22769846 0.77 PDCD1 (0.68) PDCD1CD274
SCHEMBL26616033 0.75 FOS (0.39) KDM4EHSD17B10CSNK1DCYP2C9CYP2C19
SCHEMBL31440845 0.75 FOS (0.39) KDM4EHSD17B10CSNK1DCYP2C9CYP2C19
SCHEMBL22675639 0.75 ALDH1A1 (0.44) KDM4EHSD17B10CYP2C9CYP2C19ALDH1A1

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-111448189-B Biaryl derivative, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-09-10 — — CN disclosed
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