SCHEMBL9459072

SCHEMBL9459072

CC(Cc1ccccc1C(=O)O)NC(=O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.60
KCNH2 Q12809 1/20 0.60
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FOLH1 Q04609 3/20 0.42
ELANE P08246 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CLCN2 P51788 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ACACB O00763 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 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
SCHEMBL4333892 0.83 NPC1 (0.49) ESR1KCNH2NPC1RAB9AFOLH1
SCHEMBL4462033 0.80 NPC1 (0.67) ESR1KCNH2NPC1RAB9AMEN1
SCHEMBL6679690 0.80 NPC1 (0.67) ESR1KCNH2NPC1RAB9AMEN1
SCHEMBL8420771 0.80 NPC1 (0.67) ESR1KCNH2NPC1RAB9AMEN1
SCHEMBL9099482 0.79 ESR1 (0.55) ESR1KCNH2NPC1RAB9AMEN1
SCHEMBL2953753 0.78 ATM (0.47) FOLH1
SCHEMBL6679784 0.77 ESR1 (0.56) ESR1KCNH2NPC1RAB9ALMNA
SCHEMBL9459738 0.77 ESR1 (0.56) ESR1KCNH2NPC1RAB9AELANE
SCHEMBL9459728 0.77 ESR1 (0.56) ESR1KCNH2NPC1RAB9AELANE
SCHEMBL6679779 0.77 ESR1 (0.56) ESR1KCNH2NPC1RAB9ALMNA

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-5262333-A Fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-11-16 US disclosed