SCHEMBL7755750

SCHEMBL7755750

CC(C)(c1ccccc1CCO)c1ccccc1CCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
PTPN1 P18031 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA2 P00918 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KLF10 Q13118 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL9251988 0.87 ALDH1A1 (0.46) TDP1ALDH1A1TSHRPTPN1GABRA1
SCHEMBL8582203 0.86 LIPG (0.38) TDP1ALDH1A1TSHRTRPV1KDM4E
SCHEMBL10051984 0.85 TDP1 (0.38) TDP1ALDH1A1TSHRPTPN1GABRA1
SCHEMBL17684287 0.83 TDP1 (0.37) TDP1ALDH1A1TSHRPTPN1GABRA1
SCHEMBL979275 0.78 IDO1 (0.52) ALDH1A1TRPV1KDM4EIDO1
SCHEMBL30019530 0.78 IDO1 (0.52) ALDH1A1TRPV1KDM4EIDO1
SCHEMBL18954158 0.77 TDP1 (0.45) TDP1ALDH1A1TSHR
SCHEMBL28461294 0.76 TDP1 (0.34) TDP1ALDH1A1PTPN1GABRA1GABRB2
SCHEMBL31203 0.75 TDP1 (0.55) TDP1ALDH1A1TSHRPTPN1CA2
SCHEMBL29534868 0.75 TDP1 (0.55) TDP1ALDH1A1TSHRPTPN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473163-A1 Liquid composition which can polymerize into almost colourless and easily dyeable organic glass GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1992-03-04 EP claimed
EP-1114734-A1 RESIN COMPOSITION FOR INK-JET RECORDING SHEET AND RECORDING SHEET MADE WITH THE SAME DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-07-11 EP disclosed
EP-1090775-A1 Image recording sheet comprising an active energy ray-curable composition OJI PAPER COMPANY LIMITED (JP) 2001-04-11 EP disclosed
US-5918642-A Flexible synthetic resin tube TIGERS POLYMER CORPORATION (JP) 1999-07-06 US disclosed
EP-0504433-B1 LAMINATED FILM AND PRODUCTION THEREOF DAICEL CHEM (JP) 1997-06-18 EP disclosed
US-5578372-A Heat-weldable composite films and method of production thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-26 US disclosed
EP-0504433-A1 LAMINATED FILM AND PRODUCTION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-23 EP disclosed
US-3959201-A High solids, water thinnable compositions PPG INDUSTRIES, INC. (US) 1976-05-25 US disclosed