SCHEMBL1170830

SCHEMBL1170830

CCCCC(CC)CNc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 4/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.43
EPHX1 P07099 1/20 0.43
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
ACE P12821 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL1812493 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4HSD17B10SMN1; SMN2KDM4E
SCHEMBL3248985 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11405504 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10SMN1; SMN2KDM4E
SCHEMBL11697335 0.79 PPARG (0.46) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL11725798 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10HIF1ASMN1; SMN2
SCHEMBL28719280 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4KDM4ETSHRNPY5R
SCHEMBL22176874 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4HSD17B10SMN1; SMN2KDM4E
SCHEMBL9114365 0.78 MAPT (0.50) ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL24025159 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10SMN1; SMN2KDM4E
SCHEMBL11697331 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8529639-B2 Liquid dye formulations in non-petroleum based solvent systems SUNBELT CORPORATION (US) 2013-09-10 US claimed
US-20130089369-A1 Liquid Dye Formulations in Non-petroleum Based Solvent Systems SUNBELT CORPORATION (US) 2013-04-11 US claimed
US-20110044748-A1 LIQUID DYE FORMULATIONS IN NON-PETROLEUM BASED SOLVENT SYSTEMS SUNBELT CORPORATION (US) 2011-02-24 US claimed
US-7842102-B2 Liquid dye formulations in non-petroleum based solvent systems SUNBELT CORPORATION (US) 2010-11-30 US claimed
EP-2065459-A2 Liquid dye formulations in non-petroleum based solvent systems Sunbelt Corporation (US) 2009-06-03 EP claimed
US-20090113640-A1 LIQUID DYE FORMULATIONS IN NON-PETROLEUM BASED SOLVENT SYSTEMS SUNBELT CORPORATION 2009-05-07 US claimed
US-8529639-B2 Liquid dye formulations in non-petroleum based solvent systems SUNBELT CORPORATION (US) 2013-09-10 US disclosed
US-20130089369-A1 Liquid Dye Formulations in Non-petroleum Based Solvent Systems SUNBELT CORPORATION (US) 2013-04-11 US disclosed
US-20110044748-A1 LIQUID DYE FORMULATIONS IN NON-PETROLEUM BASED SOLVENT SYSTEMS SUNBELT CORPORATION (US) 2011-02-24 US disclosed
US-7842102-B2 Liquid dye formulations in non-petroleum based solvent systems SUNBELT CORPORATION (US) 2010-11-30 US disclosed
EP-2065459-A2 Liquid dye formulations in non-petroleum based solvent systems Sunbelt Corporation (US) 2009-06-03 EP disclosed
US-20090113640-A1 LIQUID DYE FORMULATIONS IN NON-PETROLEUM BASED SOLVENT SYSTEMS SUNBELT CORPORATION 2009-05-07 US disclosed
EP-0311790-A1 Marked mineral oil product, and process to mark mineral oil products BASF Aktiengesellschaft (DE) 1989-04-19 EP disclosed
US-4000985-A DISAZO MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-04 US disclosed