SCHEMBL28293393

SCHEMBL28293393

CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1.CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 4/20 0.62
CYP3A4 P08684 3/20 0.62
HSD17B10 Q99714 1/20 0.62
TSHR P16473 3/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPK1 P28482 2/20 0.59
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
CA2 P00918 1/20 0.55
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
DGKA P23743 1/20 0.48
STS P08842 5/20 0.45
ESR1 P03372 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL23607751 0.91 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL23607753 0.91 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL20183154 0.90 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL5575034 0.88 CYP3A4 (0.63) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL17781790 0.87 TSHR (0.82) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL197520 0.87 TSHR (0.82) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL9234776 0.87 TSHR (0.82) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL13571597 0.87 TSHR (0.82) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL13571781 0.87 TSHR (0.82) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL8358615 0.87 TSHR (0.82) ALDH1A1LMNACYP3A4TSHRATM

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-109671564-A Conductive paste 株式会社则武 2019-04-23 CN disclosed