SCHEMBL10669490

SCHEMBL10669490

C=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].CCCCCCCCCCO[Ti+2]OCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
NAAA Q02083 1/20 0.42
EPHX1 P07099 1/20 0.40
DGKA P23743 1/20 0.38
FAAH O00519 3/20 0.37
CES2 O00748 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL10674535 0.78 ALDH1A1 (0.43) TSHRCA12CA1CA2CA9
SCHEMBL10665246 0.76 TSHR (0.33) TSHRFAAHCES2CA1ALDH1A1
SCHEMBL10672312 0.75 TSHR (0.49) TSHRNAAAEPHX1FAAHCA12
SCHEMBL5184556 0.75 TSHR (0.67) TSHRNAAAEPHX1DGKAFAAH
SCHEMBL4150098 0.75 TSHR (0.67) TSHRNAAAEPHX1DGKAFAAH
SCHEMBL31365121 0.74 CES2 (0.60) TSHRDGKAFAAHCES2ALDH1A1
Hydrochloric Acid SCHEMBL10581327 0.73 TSHR (0.45) TSHRNAAAEPHX1CA12CA1
Bromide SCHEMBL5181055 0.73 TSHR (0.44) TSHRNAAAEPHX1CA12CA1
Hydrochloric Acid SCHEMBL8190290 0.73 TSHR (0.45) TSHRNAAAEPHX1CA12CA1
Hydrochloric Acid SCHEMBL9709576 0.73 TSHR (0.45) TSHRNAAAEPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748087-A Plastic laminate of furniture foil and method of making THE WIGGINS TEAPE GROUP LIMITED (GB) 1988-05-31 US disclosed
EP-0183764-B1 COATING SUBSTRATES The Wiggins Teape Group Limited (GB) 1987-11-19 EP disclosed
EP-0183764-A1 COATING SUBSTRATES. WIGGINS TEAPE GROUP LTD (GB) 1986-06-11 EP disclosed
WO-1986000084-A1 COATING SUBSTRATES THE WIGGINS TEAPE GROUP LIMITED (GB) 1986-01-03 WO disclosed