SCHEMBL31197968

SCHEMBL31197968

CC(C)(C)OC(=O)C(C)(C)c1cc(B(O)O)ccn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL24023378 0.87 PLCG1 (0.40) PRKCIALDH1A1LMNANPC1RAB9A
SCHEMBL14865813 0.76 PRKCI (0.41) PRKCIALDH1A1LMNANPC1RAB9A
SCHEMBL30765197 0.74 SMN1; SMN2 (0.36) PRKCIALDH1A1SMN1; SMN2
SCHEMBL23181007 0.74 SMN1; SMN2 (0.36) PRKCIALDH1A1SMN1; SMN2
SCHEMBL31696659 0.73 MGLL (0.39) SMN1; SMN2
SCHEMBL22086359 0.72 ATR (0.44) ATR
SCHEMBL23916448 0.72 ENPP2 (0.33) —
SCHEMBL29953498 0.70 LMNA (0.36) LMNA
SCHEMBL17816265 0.70 DGAT1 (0.33) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL18342381 0.70 KDM4A (0.41) ATRLMNA

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
WO-2024191268-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 현대약품 주식회사 2024-09-19 — — WO disclosed
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