SCHEMBL21296366

SCHEMBL21296366

CCCCCCCCC(CCCCCC)COC(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
CYP3A4 P08684 3/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
CA2 P00918 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTR7 P34969 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL2822334 0.93 PRSS1 (0.64) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL3754816 0.91 ALDH1A1 (0.66) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL2919384 0.88 ALDH1A1 (0.62) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL3340116 0.87 TSHR (0.60) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL21296359 0.87 PRSS1 (0.58) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL16694074 0.87 TSHR (0.60) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL9249032 0.87 TSHR (0.60) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL3080567 0.87 TSHR (0.60) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL129099 0.86 ALDH1A1 (0.60) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL420818 0.85 PRSS1 (0.68) PRSS1PRSS2PRSS3ALDH1A1LMNA

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
WO-2019164763-A1 LOW VISCOSITY LOW VOLATILITY BENZOATE MONOESTER LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-08-29 WO disclosed