SCHEMBL323998

SCHEMBL323998

CCc1ccc(-c2ccc(O)cc2)cc1.[KH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
APAF1 O14727 1/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ESR1 P03372 9/20 0.55
ESR2 Q92731 4/20 0.55
EGFR P00533 2/20 0.52
MMP3 P08254 1/20 0.46

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
SCHEMBL980894 0.97 ESR1 (0.58) ALDH1A1HSD17B10MEN1APAF1USP2
Ammonia Solution, Strong SCHEMBL324960 0.95 ALDH1A1 (0.55) ALDH1A1HSD17B10MEN1APAF1USP2
SCHEMBL27712317 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1APAF1USP2
SCHEMBL28148524 0.89 ALDH1A1 (0.64) ALDH1A1HSD17B10MEN1APAF1USP2
SCHEMBL28713 0.89
SCHEMBL28008069 0.89 ACHE (0.56) ALDH1A1HSD17B10MEN1APAF1USP2
Ammonia Solution, Strong SCHEMBL265238 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1APAF1USP2
Ethane SCHEMBL16114596 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1APAF1USP2
SCHEMBL27587206 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1APAF1USP2
Hydrochloric Acid SCHEMBL7071404 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1APAF1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120167451-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-07-05 US disclosed
WO-2012006316-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-01-12 WO disclosed
US-20100037513-A1 Biofuel Composition and Method of Producing a Biofuel NEW GENERATION BIOFUELS, INC. (US) 2010-02-18 US disclosed
EP-2010631-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL New Generation Biofuels, Inc. (US) 2009-01-07 EP disclosed
WO-2007127059-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL NEW GENERATION BIOFUELS, INC. (US) 2007-11-08 WO disclosed
US-6235067-B1 LIQUID HYDROCARBON FUEL AND WATER SUPERCRITICAL MIXTURE EMITTER NOZZLES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US disclosed