SCHEMBL7068227

SCHEMBL7068227

C=CCOC(=O)c1ccccc1O.[AlH3]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.77
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 3/20 0.66
TSHR P16473 2/20 0.66
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RHOA P61586 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL7068221 1.00 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL27522934 0.98 CYP3A4 (0.79) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL64356 0.98 CYP3A4 (0.79) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1131891 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18259144 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1889642 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL669635 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6261194 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5756387 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1
Hydrogen Sulfide SCHEMBL8182655 0.97 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670525-B1 Liquid developer compositions XEROX CORP (US) 2001-11-28 EP claimed
US-5563015-A CONTAINING MONO OR DI PHOSPHORIC ESTER MIXTURE XEROX CORPORATION (US) 1996-10-08 US claimed
US-5559588-A Lid machine capable of producing clean-background stabilized liquid toner images XEROX CORPORATION (US) 1996-09-24 US claimed
US-5525448-A POSITIVELY CHARGED MIXTURE OF NONPOLAR LIQUID, THERMOPLASTIC RESIN PARTICLE, PIGMENT, CHARGE CONTROL COMPOUND AND INSOLUBLE QUATERNARY CHARGE ADJUVANT; ANTISOILANTS; QUALITY; XEROGRAPHY XEROX CORPORATION (US) 1996-06-11 US claimed
US-5478688-A Liquid developer compositions with charge adjuvants of a copolymer of an alky acrylamidoglycolate alkyl ether and an alkenylester XEROX CORPORATION (US) 1995-12-26 US claimed
EP-0670525-A1 Liquid developer compositions XEROX CORPORATION (US) 1995-09-06 EP claimed
US-5409796-A Modified copolymer of ethylene and methacrylic acid ester as charge adjuvant XEROX CORPORATION (US) 1995-04-25 US claimed
US-6593049-B1 Containing charge enhancing additives, which impart or assist in imparting a negative charge to the toner resin particles and enable in embodiments toners with rapid admix characteristics XEROX CORPORATION 2003-07-15 US disclosed
US-5559588-A Lid machine capable of producing clean-background stabilized liquid toner images XEROX CORPORATION (US) 1996-09-24 US disclosed