SCHEMBL6527778

SCHEMBL6527778

C=COc1ccccc1C(C)(C)c1ccccc1OC=C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 2/20 0.31
SGMS2 Q8NHU3 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
SCHEMBL29012836 0.87 ADRA2B (0.36) ADRA2BADRA2CTDP1ATMCA12
SCHEMBL5025767 0.82 ESR1 (0.50) ADRA2BADRA2CTDP1ATMALDH1A1
Ethylene Glycol SCHEMBL21055947 0.81 ALDH1A1 (0.37) TDP1ATMALDH1A1TSHRCYP2C19
SCHEMBL29592755 0.78 ADRA2B (0.43) ADRA2BADRA2CTDP1CA12CA1
SCHEMBL3113317 0.78 ADRA2B (0.43) ADRA2BADRA2CTDP1CA12CA1
SCHEMBL17823186 0.76 HPGD (0.47) ADRA2BADRA2CCA12CA1CA9
SCHEMBL9326106 0.75 CA1 (0.57) ADRA2BTDP1CA12CA1CA2
SCHEMBL30948566 0.75 CA1 (0.57) ADRA2BTDP1CA12CA1CA2
SCHEMBL9185259 0.74 CA2 (0.39) ADRA2BADRA2CTDP1ATMCA2
SCHEMBL1833758 0.74 THRB (0.49) TDP1ATMALDH1A1CYP2C19HSD17B10

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-20050263021-A1 Platemaking method for lithographic printing plate precursor and planographic printing method FUJI PHOTO FILM CO., LTD. 2005-12-01 US disclosed