SCHEMBL26584249

SCHEMBL26584249

O=C(/C=C/c1cc(-c2ccc(F)cc2)[nH]c1-c1ccc(F)cc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ AKR1B10 O60218 2/20 0.46
▸ AKR1B1 P15121 2/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA5A P35218 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CA5B Q9Y2D0 2/20 0.46
▸ TTR P02766 1/20 0.46
▸ HCAR2 Q8TDS4 2/20 0.45
▸ GCGR P47871 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DHODH Q02127 1/20 0.41

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
SCHEMBL26135427 0.79 TDO2 (0.50) GCGRNPC1RAB9ACTSVCTSL
SCHEMBL30613284 0.79 NPC1 (0.51) LMNACA12CA7CA9CA14
SCHEMBL14107685 0.77 LMNA (0.60) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL4814225 0.77 LMNA (0.60) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL26130300 0.77 LMNA (0.48) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL26130296 0.77 LMNA (0.48) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL21465446 0.75 LMNA (0.57) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL21465417 0.75 LMNA (0.57) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL30613310 0.73 RAB9A (0.45) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL26135858 0.72 NPC1 (0.63) LMNACA4HCAR2ALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 — — WO disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 — — WO disclosed
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