SCHEMBL28652684

SCHEMBL28652684

COc1c(-c2ccc(F)cc2)cccc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 12/20 0.59
▸ FABP5 Q01469 11/20 0.59
▸ PFKFB3 Q16875 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ FABP3 P05413 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MCL1 Q07820 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
SCHEMBL9997295 0.92 PFKFB3 (0.60) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL28657437 0.91 PFKFB3 (0.59) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL28657642 0.85 HSD17B10 (0.56) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL28639755 0.78 PFKFB3 (0.59) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL9997390 0.78 PFKFB3 (0.65) FABP4PFKFB3ALDH1A1HSD17B10HPGD
SCHEMBL28637913 0.78 ACLY (0.63) FABP4PFKFB3ALDH1A1HSD17B10HPGD
SCHEMBL9997201 0.78 PFKFB3 (0.66) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL28646113 0.78 PFKFB3 (0.64) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL28636849 0.77 PFKFB3 (0.67) FABP4FABP5PFKFB3ALDH1A1HSD17B10
SCHEMBL9997093 0.76 PFKFB3 (0.78) PFKFB3ALDH1A1HSD17B10MEN1KMT2A

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-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 — — CN disclosed
Send feedback