SCHEMBL4370639

SCHEMBL4370639

CC(C)=COc1ccccc1OC=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 4/20 0.35
ENPP2 Q13822 1/20 0.34
ALDH1A1 P00352 6/20 0.34
PTGS1 P23219 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34

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
SCHEMBL12853879 0.91 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL12853863 0.86 KMT2A (0.41) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL10640071 0.86 TP53 (0.52) CA1CA2CA12CA4CA14
SCHEMBL9900332 0.84 LMNA (0.34) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL7795831 0.81 TDP1 (0.42) CA2TSHRTP53KDM4EALDH1A1
SCHEMBL9157736 0.81 ALDH1A1 (0.39) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27875689 0.80 ALDH1A1 (0.54) CA1CA2TSHRTP53KDM4E
SCHEMBL11473275 0.78 ALDH1A1 (0.59) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL8950411 0.78 HPGD (0.54) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9719613 0.77 CA4 (0.42) CA4TSHRTP53KDM4EALDH1A1

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-20090035696-A1 PHOTORESIST COMPOSITION KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed