SCHEMBL5961805

SCHEMBL5961805

CCOc1ccc(C(=O)OC2CCC(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
NPC1 O15118 1/20 0.47
PLK1 P53350 1/20 0.47
HPGD P15428 3/20 0.47
STS P08842 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL27455612 0.94 PARP10 (0.56) PARP10NPC1PLK1HPGDSTS
SCHEMBL10896176 0.88 STS (0.59) PARP10NPC1HPGDSTSALDH1A1
SCHEMBL17059039 0.88 HPGD (0.57) NPC1HPGDLMNAMAPTKMT2A
SCHEMBL9002108 0.87 SCN1A (0.56) NPC1STSSCN1ASCN2ASCN3A
SCHEMBL17059016 0.86 HPGD (0.56) NPC1HPGDLMNA
SCHEMBL29003850 0.85 PARP10 (0.47) PARP10NPC1PLK1HPGDSTS
SCHEMBL17059012 0.84 CYP19A1 (0.49) NPC1PLK1STSALDH1A1SCN1A
SCHEMBL14300231 0.84 PARP10 (0.46) PARP10NPC1PLK1HPGDSTS
SCHEMBL10033674 0.83 HPGD (0.55) HPGDALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL2451370 0.83 HPGD (0.55) HPGDALDH1A1MAPTL3MBTL1KMT2A

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
US-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed