SCHEMBL25812488

SCHEMBL25812488

CC(C)Cc1ccc(C(=O)OCC(C)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ADRB3 P13945 4/20 0.49
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42

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
SCHEMBL7771559 0.88 MAPT (0.64) MAPTADRB3ADRB2ADRB1LMNA
SCHEMBL22965730 0.86 ADRB2 (0.58) MAPTADRB3ADRB2ADRB1
SCHEMBL8063408 0.82 MAPT (0.76) MAPTADRB3ADRB2ADRB1TSHR
SCHEMBL9490020 0.81 CYP4F2 (0.46) MAPTADRB3ADRB2ADRB1CYP4F2
SCHEMBL9490026 0.81 CYP4F2 (0.46) MAPTADRB3ADRB2ADRB1CYP4F2
SCHEMBL22965811 0.81 CYP4F2 (0.49) MAPTADRB3ADRB2ADRB1CYP4F2
SCHEMBL571300 0.80 CA1 (0.59) MAPTLMNAESR1MEN1KMT2A
SCHEMBL5153013 0.80 ALDH1A1 (0.62) MAPTADRB3ADRB2ADRB1LMNA
SCHEMBL3956396 0.79 CA1 (0.54) MAPTLMNACYP2C9ESR1MEN1
SCHEMBL28403117 0.78 PTGS1 (0.52) ADRB3CYP4F2CYP4A11PTGS2PTGS1

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
US-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed