SCHEMBL25833534

SCHEMBL25833534

CCc1ccc(C(C)(C)CC)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ RIPK1 Q13546 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ EPHX2 P34913 2/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL10162939 0.84 EPHX2 (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13496391 0.82 NPC1 (0.46) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL6789942 0.80 IDO1 (0.58) IDO1DAOPDE2A
SCHEMBL19347692 0.80 RAB9A (0.49) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL19965714 0.78 MAPK1 (0.43) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL21561726 0.77 MAPK1 (0.46) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL13882014 0.77 ESR1 (0.46) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL4825997 0.77 NPC1 (0.44) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL20033747 0.77 NPC1 (0.42) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL18649029 0.77 MAPK1 (0.42) NPC1RAB9AMAPK1SMN1; SMN2LMNA

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 — — WO disclosed
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