SCHEMBL21156320

SCHEMBL21156320

Nc1cc(OC(F)F)ccc1OCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MMP2 P08253 1/20 0.38
PRSS1 P07477 6/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCL1 Q07820 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL6536100 0.82 LMNA (0.54) L3MBTL1LMNASMN1; SMN2HSD17B10MCL1
SCHEMBL22660224 0.79 LMNA (0.49) L3MBTL1LMNATSHRPRSS1PTGDR2
SCHEMBL16193425 0.79 TSHR (0.50) TSHRRAB9AFFAR1FFAR4PDK2
SCHEMBL10791590 0.79 USP2 (0.57) L3MBTL1LMNAATMTSHRPRSS1
SCHEMBL17823298 0.76 CYP1A2 (0.43) ATMUSP2SMN1; SMN2
SCHEMBL11074707 0.76 MEN1 (0.44) L3MBTL1LMNAATMNPC1RAB9A
SCHEMBL13282757 0.76 PTGDR2 (0.57) LMNATSHRPTGDR2RAB9ASMN1; SMN2
SCHEMBL7523915 0.76 TSHR (0.58) L3MBTL1LMNAATMTSHRPRSS1
SCHEMBL25586358 0.76 PTGDR2 (0.48) L3MBTL1LMNATSHRPRSS1PTGDR2
Hydrochloric Acid SCHEMBL11068575 0.74 MEN1 (0.47) LMNAATMNPC1RAB9ASMN1; SMN2

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-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed