SCHEMBL29112147

SCHEMBL29112147

FC(F)(F)Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.37
HTR1B P28222 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 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
SCHEMBL3120591 0.88 KDM4E (0.53) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL446558 0.78 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL441360 0.76 HPRT1 (0.61) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL14202870 0.75 CYP2A6 (0.52) ALDH1A1HSD17B10TDP1CYP2A6KDM4E
SCHEMBL2643936 0.75 ALPL (0.41) ALDH1A1HSD17B10CYP2A6KDM4ESLC40A1
SCHEMBL1842714 0.75 HSD17B10 (0.46) HPRT1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL1005616 0.75 MAPT (0.59) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1141751 0.75 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2778935 0.75 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL6027170 0.75 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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
CN-116924873-A Method for synthesizing 1-substituted phenanthrene compound by palladium-catalyzed o-halogenated benzoate decarbonylation 西北师范大学 2023-10-24 CN disclosed