SCHEMBL19634575

SCHEMBL19634575

NCc1cccc(C(=O)OCCO)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.66
▸ LOXL2 Q9Y4K0 3/20 0.64
▸ CYP4F2 P78329 3/20 0.52
▸ CYP4A11 Q02928 3/20 0.52
▸ HTR2C P28335 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ TYR P14679 1/20 0.41
▸ SERPINE1 P05121 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ LMNA P02545 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
SCHEMBL23471000 0.87 SLC7A5 (0.65) SLC7A5LOXL2CYP4F2CYP4A11TDP1
SCHEMBL10174530 0.85 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11KMT2A
SCHEMBL28922549 0.85 LOXL2 (0.70) SLC7A5LOXL2CYP4F2CYP4A11HTR2C
SCHEMBL19634285 0.84 LOXL2 (0.69) SLC7A5LOXL2CYP4F2CYP4A11HTR2C
SCHEMBL134602 0.84 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11TDP1CA1
SCHEMBL6736568 0.83 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11TDP1CA1
SCHEMBL29404963 0.83 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11TDP1CA1
SCHEMBL6537065 0.83 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11TDP1CA1
SCHEMBL25026558 0.83 SLC7A5 (0.60) SLC7A5LOXL2CYP4F2CYP4A11TDP1
SCHEMBL2450193 0.82 LOXL2 (0.71) LOXL2CYP4F2CYP4A11CA1CA2

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 — — WO disclosed
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