SCHEMBL28548162

SCHEMBL28548162

CC(C)(CCC(C)(C)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CALM1 P0DP23 1/20 0.41
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
FDPS P14324 1/20 0.40
PRMT1 Q99873 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL1572105 0.89 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL19840415 0.86 TAAR1 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL11253564 0.86 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL7376865 0.84 SLC6A2 (0.48) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL28924913 0.83 SLC6A2 (0.47) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL24340783 0.82 SMN1; SMN2 (0.47) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL8413281 0.82 SLC6A2 (0.42) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL4352224 0.82 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL2782164 0.81 SLC6A2 (0.45) SLC6A2TAAR1CYP2D6LMNATP53
SCHEMBL5750633 0.81 KEAP1 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1

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-109851973-B Ionic crosslinking ethylene propylene diene monomer rubber and preparation method thereof 浙江省仙居县博达异型橡塑有限公司 2021-03-23 CN claimed