SCHEMBL28545543

SCHEMBL28545543

CCCCCCCCC(CCCCCC)COC(=O)C1(C(=O)O)CCCC1(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
CA2 P00918 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28534751 1.00 PRSS1 (0.40) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL28542666 0.99 PRSS1 (0.39) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL11216636 0.80 CYP3A4 (0.55) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL28544522 0.78 NAAA (0.44) TSHRLMNAALDH1A1
SCHEMBL11749964 0.76 CYP3A4 (0.51) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL28547544 0.76 FAAH (0.42) MAPTALDH1A1
SCHEMBL2917410 0.74 PRSS1 (0.39) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL6383536 0.73 PRSS1 (0.51) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL29240283 0.73 PRSS1 (0.51) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL22504377 0.73 PRSS1 (0.51) PRSS1PRSS2PRSS3TSHRCYP3A4

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-108047049-B Polyalkylcyclopentane lubricating oil composition and preparation method thereof 中国科学院兰州化学物理研究所 2021-03-30 CN disclosed