SCHEMBL9449297

SCHEMBL9449297

C[Si](C)(C)c1ccc(C(=O)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.38
GSK3B P49841 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
APEX1 P27695 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
MCL1 Q07820 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30694356 0.81 KDM4E (0.50) HPGDGSK3BL3MBTL1KDM4EALDH1A1
SCHEMBL27945048 0.78 SMN1; SMN2 (0.63) HPGDGSK3BL3MBTL1KDM4EALDH1A1
SCHEMBL30080293 0.77 ALDH1A1 (0.52) HPGDACHEALDH1A1NR1H2NR1H3
SCHEMBL20010800 0.77 CES2 (0.52) HPGDACHENR1H2NR1H3RAB9A
SCHEMBL2322402 0.75 KMT2A (0.56) HPGDL3MBTL1ALDH1A1POLBGAA
SCHEMBL3892731 0.75 GSK3B (0.64) HPGDGSK3BL3MBTL1ALDH1A1GAA
SCHEMBL105892 0.75 HPGD (0.74) HPGDALDH1A1SMN1; SMN2
SCHEMBL11910715 0.75 HPGD (0.50) HPGDACHEL3MBTL1ALDH1A1GAA
SCHEMBL8018862 0.75 HPGD (0.48) HPGDACHEL3MBTL1ALDH1A1GAA
SCHEMBL9716978 0.73 HPGD (0.46) HPGDACHEALDH1A1NR1H2NR1H3

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
EP-0544812-A1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1993-06-09 EP disclosed