SCHEMBL28735227

SCHEMBL28735227

Cc1ccccc1C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ ELANE P08246 2/20 0.47
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ PLK2 Q9NYY3 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ POLB P06746 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
SCHEMBL18050349 0.85 ELANE (0.47) NPC1RAB9AELANEADRB2ADRB1
SCHEMBL18050350 0.85 ELANE (0.47) NPC1RAB9AELANEADRB2ADRB1
SCHEMBL29436920 0.84 NPC1 (0.53) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL777261 0.84 NPC1 (0.53) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL8146454 0.83 ADRB2 (0.45) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL28213156 0.81 LMNA (0.58) NPC1RAB9AELANEADRB2ADRB1
SCHEMBL9831155 0.80 NPC1 (0.46) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL29201681 0.80 NPC1 (0.50) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL10004127 0.80 NPC1 (0.50) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL24847364 0.80 ADRB2 (0.51) NPC1RAB9AELANEADRB2ADRB1

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-114478241-A Preparation method of arylformyl formic ether 山东京博生物科技有限公司 2022-05-13 — — CN disclosed
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