SCHEMBL28958177

SCHEMBL28958177

C[C](C)Cc1ccc(C(C)C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
TRPA1 O75762 3/20 0.52
CHRM1 P11229 2/20 0.52
SLC6A2 P23975 2/20 0.52
ADRA1A P35348 2/20 0.52
HTR2B P41595 2/20 0.52
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
ALOX15 P16050 4/20 0.41
ALOX12 P18054 4/20 0.41
HSP90AA1 P07900 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 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
SCHEMBL31545856 0.82 SLC6A2 (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL21034794 0.82 SLC6A2 (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL806790 0.81 KDM4E (0.61) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5168817 0.81 CNR1 (0.55) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4610099 0.80 TRPA1 (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5167759 0.78 GABRA1 (0.58) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL7854613 0.77 TRPA1 (0.60) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18701043 0.76 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3219477 0.75 YWHAG (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5164400 0.74 NPC1 (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A

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
CN-108484365-B Method for separating m-isopropylphenol and p-isopropylphenol 陕西巴斯腾科技有限公司 2023-02-28 CN claimed
CN-108484365-B Method for separating m-isopropylphenol and p-isopropylphenol 陕西巴斯腾科技有限公司 2023-02-28 CN disclosed