SCHEMBL18035722

SCHEMBL18035722

Cc1cccc(C(=O)O)c1-c1cccc2cccc(OC(=O)C3=CC(C)CCC3)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MCL1 Q07820 3/20 0.31
BAD Q92934 2/20 0.31
RXRA P19793 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL18035757 0.88 HSD17B10 (0.40) MYCHSD17B10KDM4ELMNACYP1A2
SCHEMBL18035746 0.84 MYC (0.40) MYCHSD17B10KDM4ELMNACYP1A2
SCHEMBL2402673 0.84 KMT2A (0.44) KDM4ELMNACYP2C9MEN1ESR1
SCHEMBL18035728 0.84 HSD17B10 (0.34) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL18035767 0.83 MYC (0.38) MYCHSD17B10KDM4ELMNACYP1A2
SCHEMBL18035773 0.82 MYC (0.38) MYCHSD17B10KDM4ELMNACYP1A2
SCHEMBL18035736 0.80 MYC (0.42) MYCHSD17B10KDM4ELMNACYP1A2
SCHEMBL2406352 0.78 LMNA (0.41) HSD17B10LMNACYP1A2CYP2C9ALDH1A1
SCHEMBL18035780 0.77 MYC (0.40) MYCHSD17B10KDM4ELMNATYMS
SCHEMBL18035771 0.77 L3MBTL1 (0.43) MYCHSD17B10KDM4ELMNAALDH1A1

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
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP claimed