SCHEMBL1869967

SCHEMBL1869967

Cc1cccc(C)c1O.N=C=O.N=C=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
TRPA1 O75762 2/20 0.54
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ATM Q13315 2/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 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
Carbimide SCHEMBL28036929 0.90 ALDH1A1 (0.78) ALDH1A1TRPA1KDM4EHPGDHSD17B10
SCHEMBL64141 0.84
SCHEMBL11575272 0.84 ALDH1A1 (1.00) ALDH1A1TRPA1KDM4EHPGDHSD17B10
SCHEMBL2500374 0.84 ALDH1A1 (1.00) ALDH1A1TRPA1KDM4EHPGDHSD17B10
Formaldehyde SCHEMBL11059015 0.81 ALDH1A1 (0.82) ALDH1A1TRPA1KDM4EHPGDHSD17B10
Methane SCHEMBL6578174 0.81 ALDH1A1 (0.93) ALDH1A1TRPA1KDM4EHPGDHSD17B10
SCHEMBL11411128 0.81 ALDH1A1 (0.93) ALDH1A1TRPA1KDM4EHPGDHSD17B10
SCHEMBL10895566 0.81 ALDH1A1 (0.93) ALDH1A1TRPA1KDM4EHPGDHSD17B10
Bromide SCHEMBL30923434 0.81 ALDH1A1 (0.93) ALDH1A1TRPA1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL7078680 0.81 ALDH1A1 (0.93) ALDH1A1TRPA1KDM4EHPGDHSD17B10

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-7935776-B2 having a carboxy group in its main chain and a acryloyl group in its side chain; Color filters AGI CORPORATION (TW) 2011-05-03 US disclosed
US-20080234403-A1 Radiation curable and developable polyurethane and radiation curable and developable photo resist composition containing the same AGI CORPORATION (TW) 2008-09-25 US disclosed