SCHEMBL27157970

SCHEMBL27157970

CC(Oc1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 5/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SSTR1 P30872 2/20 0.41
▸ SSTR4 P31391 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TTR P02766 5/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL29202360 1.00 RBP4 (0.41) RBP4PPARGSSTR1SSTR4KDM4E
SCHEMBL29202347 0.87 USP30 (0.44) SSTR1SSTR4
SCHEMBL27158505 0.87 USP30 (0.44) SSTR1SSTR4
SCHEMBL25419344 0.75 RBP4 (0.59) RBP4SSTR1SSTR4TTRCHRNB2
SCHEMBL4259803 0.72 EPHX2 (0.59) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL25414530 0.72 EPHX2 (0.59) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL2946871 0.72 EPHX2 (0.59) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL30785512 0.72 HDAC4 (0.41) RBP4
SCHEMBL27158244 0.72 HDAC4 (0.41) RBP4
SCHEMBL30785518 0.72 HTR2A (0.46) —

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
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 — — CN disclosed
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