SCHEMBL6862455

SCHEMBL6862455

C=CC(=O)OC(=O)C(=C)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 2/20 0.41
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NLRP1 Q9C000 1/20 0.41
MEN1 O00255 1/20 0.41
NTSR1 P30989 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TGM2 P21980 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL776022 0.83 CES2 (0.41) HTTATMTDP1SMN1; SMN2MEN1
SCHEMBL506075 0.82 AKT1 (0.48) ALDH1A1NPSR1LMNAHPGDPKM
SCHEMBL6763060 0.80 TDP1 (0.53) ALDH1A1HTTNPSR1LMNAHPGD
SCHEMBL9300725 0.76 TDP1 (0.57) ALDH1A1HTTNPSR1LMNAHPGD
SCHEMBL8679604 0.74 TSHR (0.53) ALDH1A1PKMTDP1SMN1; SMN2KDM4E
Acrylic Acid SCHEMBL6862448 0.73 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAHPGD
SCHEMBL5086187 0.73 ALDH1A1 (0.50) ALDH1A1HTTLMNAHPGDTDP1
SCHEMBL28793888 0.71 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNAHPGD
P-Xylene SCHEMBL27798321 0.71 TGM2 (0.53) ALDH1A1HTTNPSR1LMNAHPGD
SCHEMBL11388214 0.71 ALDH1A1 (0.56) ALDH1A1HTTNPSR1LMNAHPGD

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
US-6797444-B2 A PROTECTIVE LAYER CONTAINING A COUPLING FLUOROPOLYMER PARTICLES DISPERSED IN A COPOLYMER HAVING A FLUORINE ATOM-CONTAINING SILOXANE ADDITION-CONDENSATION PRODUCT IN A SIDE CHAIN; NONABRASIVE, HARDENING KONICA CORPORATION (JP) 2004-09-28 US disclosed