SCHEMBL6351865

SCHEMBL6351865

CC(C)c1cccc(O)c1.[NaH].[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.59
ADRA1A P35348 2/20 0.59
MIF P14174 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2B P41595 1/20 0.59
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
CYP3A4 P08684 3/20 0.55
ALOX12 P18054 3/20 0.55
CA2 P00918 2/20 0.55
CA5A P35218 2/20 0.55
CA9 Q16790 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
MDM4 O15151 1/20 0.55
CA1 P00915 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL51528 0.98 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29426960 0.98 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
Ethane SCHEMBL16736754 0.95 ADRB1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL28741659 0.95 ADRB1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
Hydrogen Peroxide SCHEMBL11040445 0.95 ADRB1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
Formaldehyde SCHEMBL27575605 0.91 KDM4E (0.57) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29020581 0.91 ADRB1 (0.55) ADRB1ADRA1AMIFHTR2AHTR2B
Acetic Acid SCHEMBL9103437 0.87 HIF1A (0.54) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL28753521 0.86 KDM4E (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL487527 0.85 HSD17B1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B

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-6904972-B2 Fracturing with viscoelastic surfactant based fluid Zhang, Kewei (CA) 2005-06-14 US disclosed
US-20030168217-A1 Fracturing liquid OLYMPIA TRUST COMPANY (CA) 2003-09-11 US disclosed
WO-2001083946-A1 FRACTURING FLUID TRICAN WELL SERVICE LTD. (CA) 2001-11-08 WO disclosed