SCHEMBL323997

SCHEMBL323997

CCc1c(O)cccc1-c1ccccc1.[KH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
BCL2L1 Q07817 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BACE1 P56817 3/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
USP7 Q93009 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
ALOX5 P09917 1/20 0.39
HNF4A P41235 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL2683682 0.98 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
Water SCHEMBL28266485 0.96 ALDH1A1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
Ammonia Solution, Strong SCHEMBL324959 0.96 ALDH1A1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
Formaldehyde SCHEMBL29110546 0.93 ALDH1A1 (0.50) ALDH1A1HPGDBCL2L1HSD17B10BACE1
Guanidine SCHEMBL324301 0.90 ALDH1A1 (0.47) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL21694265 0.85 USP7 (0.45) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL9806251 0.83 PDCD1 (0.47) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL16527875 0.83 GABRA1 (0.42) ALDH1A1HPGDBCL2L1HSD17B10SMN1; SMN2
SCHEMBL528810 0.83 BCL2L1 (0.52) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL11206474 0.82 HSD17B10 (0.60) ALDH1A1HPGDBCL2L1HSD17B10BACE1

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