SCHEMBL40657

SCHEMBL40657

CC(O)c1ccc(CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTGS2 P35354 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TSHR P16473 1/20 0.41
ADRB2 P07550 3/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 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
SCHEMBL27939209 0.90 CA2 (0.42) CA2CYP4F2CYP4A11TDP1PTGS2
SCHEMBL30231388 0.88 LMNA (0.44) PTGS2TSHRADRB2LMNAHIF1A
Phenyl Ethanol SCHEMBL8145962 0.85 TDP1 (0.64) TDP1LMNAHIF1ASLC6A2SLC6A4
SCHEMBL2222047 0.84 CA2 (0.52) CA2CYP4F2CYP4A11TDP1PTGS2
Phenylethyl Alcohol SCHEMBL27632181 0.83 TDP1 (0.55) CA2TDP1TSHRADRB2LMNA
SCHEMBL14540984 0.82 LPL (0.48) CA2ADRB2LMNAHIF1ASLC6A2
SCHEMBL40702 0.81 NOS3 (0.42) CA2PTGS2CA12CA1CA4
SCHEMBL18118664 0.81 NOS3 (0.42) CA2PTGS2CA12CA1CA4
SCHEMBL7771837 0.81 CA2 (0.54) CA2CYP4F2CYP4A11TDP1PTGS2
SCHEMBL28347454 0.81 LMNA (0.42) CYP4F2CYP4A11PTGS2TSHRADRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736573-A Preparation method of low-noise high-wear-resistance polymer elastomer composite material 长春工业大学 2024-03-22 CN claimed
CN-117736573-A Preparation method of low-noise high-wear-resistance polymer elastomer composite material 长春工业大学 2024-03-22 CN disclosed
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed