Propane

Propane

SCHEMBL27699446

C1=CCN(c2cccnc2)C=C1.CCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
CYP2A6 P11509 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2E1 P05181 2/20 0.38
CHRNB2 P17787 6/20 0.36
CHRNA4 P43681 6/20 0.36
CHRNB4 P30926 5/20 0.36
CHRNA3 P32297 5/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29626231 0.94 CYP2A6 (0.41) CYP2A6CYP3A4CYP2E1CHRNB2CHRNA4
SCHEMBL27977591 0.94 CYP2A6 (0.41) CYP2A6CYP3A4CYP2E1CHRNB2CHRNA4
SCHEMBL29137307 0.92 CYP2A6 (0.40) CYP2A6CYP3A4CYP2E1CHRNB2CHRNA4
Benzene SCHEMBL28093687 0.92 MAPT (0.41) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
N-Propyl Bromide SCHEMBL27977576 0.91 ELANE (0.38) ELANECYP2A6CYP3A4CYP2E1CHRNB2
Bromobenzene SCHEMBL28160069 0.84 HTT (0.39) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
SCHEMBL2049800 0.75 MAPT (0.33) CYP3A4MAPT
SCHEMBL4140323 0.74 MAPT (0.32) MAPT
SCHEMBL1652919 0.74 CHKA (0.40) MAPT
Hydrochloric Acid SCHEMBL28920941 0.74 NPC1 (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538354-B Quantum dot composite material, preparation method thereof, light-emitting film and display device TCL科技集团股份有限公司 2022-04-12 CN claimed
CN-112538354-A Quantum dot composite material, preparation method thereof, light-emitting film and display device TCL集团股份有限公司 2021-03-23 CN claimed
CN-104017006-A Heterocyclic coordination polymer and preparation method thereof LIU GUOZHENG 2014-09-03 CN claimed
CN-101165054-A Method for synthesizing 1-hydroxy-1,2,4,5-tetrapyridylcyclohexane FUJIAN MATTER STRUCTURE (CN) 2008-04-23 CN claimed
CN-114686003-A Composite material, preparation method thereof and quantum dot light-emitting diode TCL科技集团股份有限公司 2022-07-01 CN disclosed
CN-112538354-B Quantum dot composite material, preparation method thereof, light-emitting film and display device TCL科技集团股份有限公司 2022-04-12 CN disclosed
CN-112538354-A Quantum dot composite material, preparation method thereof, light-emitting film and display device TCL集团股份有限公司 2021-03-23 CN disclosed
CN-104017006-A Heterocyclic coordination polymer and preparation method thereof LIU GUOZHENG 2014-09-03 CN disclosed
CN-101165054-A Method for synthesizing 1-hydroxy-1,2,4,5-tetrapyridylcyclohexane FUJIAN MATTER STRUCTURE (CN) 2008-04-23 CN disclosed
CN-101165054-A Method for synthesizing 1-hydroxy-1,2,4,5-tetrapyridylcyclohexane FUJIAN MATTER STRUCTURE (CN) 2008-04-23 CN disclosed