SCHEMBL18154475

SCHEMBL18154475

C=Cc1ccc(OC(CCC)Oc2ccc(C=C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ALDH1A3 P47895 1/20 0.36
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
THRB P10828 1/20 0.31
RELA Q04206 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6695340 0.91 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6699138 0.90 TAS1R3 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6690536 0.89 CHRNB2 (0.42) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6695234 0.89 TAS1R3 (0.39) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL1140630 0.88 CHRNB2 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6693687 0.87 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6690988 0.87 TAS1R3 (0.38) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6694233 0.85 TAS1R3 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL3032255 0.84 TAS1R3 (0.43) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6690487 0.83 TAS1R3 (0.39) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840663-B2 Development of ultra-high molecular weight (UHMW) branched block copolymer drag reducer with improved mechanical and chemical stability SAUDI ARABIAN OIL COMPANY (SA) 2023-12-12 US claimed
EP-3283570-A1 METHOD FOR INHIBITING THE PERMEATION OF WATER IN AN EXTRACTION WELL OF A HYDROCARBON FLUID FROM AN UNDERGROUND RESERVOIR Eni S.p.A. (IT) 2018-02-21 EP disclosed
WO-2016166672-A1 METHOD FOR INHIBITING THE PERMEATION OF WATER IN AN EXTRACTION WELL OF A HYDROCARBON FLUID FROM AN UNDERGROUND RESERVOIR ENI S.P.A. (IT) 2016-10-20 WO disclosed