SCHEMBL7170771

SCHEMBL7170771

COC(=O)c1cccc(-c2ccccc2CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.54
PTGER4 P35408 2/20 0.54
PTGER3 P43115 2/20 0.54
PTGER2 P43116 2/20 0.54
ENPP2 Q13822 1/20 0.53
AXL P30530 1/20 0.50
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
TSHR P16473 1/20 0.49
SUCNR1 Q9BXA5 2/20 0.48
RAB9A P51151 2/20 0.47
PDK2 Q15119 1/20 0.47
NPC1 O15118 1/20 0.47
NEK1 Q96PY6 1/20 0.47
FFAR1 O14842 1/20 0.47
MGAT2 Q10469 1/20 0.47
DGAT2 Q96PD7 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL27378863 0.84 ROCK2 (0.60) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL7176319 0.84 EGFR (0.55) PTGER1PTGER4PTGER3PTGER2TSHR
SCHEMBL29956264 0.84 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL28755028 0.84 TSHR (0.60) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL7173368 0.83 MTNR1A (0.50) AXLGABRG2GABRB3GABRA5GABRA3
Methane SCHEMBL28667111 0.82 TSHR (0.58) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL4304231 0.81 ALDH1A1 (0.59) TSHRRAB9ANPC1
SCHEMBL6736858 0.80 EGFR (0.56) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL1221576 0.78 TSHR (0.67) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL29410906 0.78 TSHR (0.67) AXLGABRG2GABRB3GABRA5GABRA3

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-6576632-B1 Such as 3'-((Benzyl-(2-benzyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-carbamoyl)-methyl)-biphenyl-3-carboxylic acid PFIZER INC 2003-06-10 US disclosed