SCHEMBL11548405

SCHEMBL11548405

CC(=O)OCC(c1ccccc1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TSHR P16473 3/20 0.49
▸ SLC6A3 Q01959 5/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL27865159 0.86 KMT2A (0.53) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL27482765 0.84 MEN1 (0.50) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL27407428 0.81 TSHR (0.50) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL27661415 0.81 PKM (0.57) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL7098397 0.78 KMT2A (0.56) KMT2AMEN1CYP3A4LMNAPKM
SCHEMBL12826050 0.78 SLC6A2 (0.51) KMT2AMEN1SLC6A3SLC6A2PKM
SCHEMBL29706736 0.77 MEN1 (0.52) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL11854679 0.77 MEN1 (0.48) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL27797853 0.77 KMT2A (0.58) KMT2AMEN1TSHRCYP3A4LMNA
SCHEMBL8007377 0.76 FFAR1 (0.69) KMT2AMEN1CYP3A4LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103816300-B A kind of medicinal herb spray for treating skin disorder or mucous membrane cavity illness 中国人民解放军济南军区联勤部药品仪器检验所 2017-09-22 — — CN claimed
CN-103816300-A Traditional Chinese medicine pressurized spray for treating skin disorders or mucosa orifice diseases DRUG INSTR INSPECTION INST OF LOGISTICS DEPT OF JINAN MILITARY REGION OF PEOPLE S LIBERATION ARMY 2014-05-28 — — CN claimed
CN-106383195-B The discrimination method of the root bark of shaggy-fruited dittany in anti-rheumatism medicinal liquor 贵州信邦制药股份有限公司 2018-08-21 — — CN disclosed
CN-106383195-A Identification method of cortex dictamni in anti-rheumatism medicinal liquor 贵州信邦制药股份有限公司 2017-02-08 — — CN disclosed
CN-103816300-A Traditional Chinese medicine pressurized spray for treating skin disorders or mucosa orifice diseases DRUG INSTR INSPECTION INST OF LOGISTICS DEPT OF JINAN MILITARY REGION OF PEOPLE S LIBERATION ARMY 2014-05-28 — — CN disclosed
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 — — CN disclosed
US-4165326-A Steroids and their preparation ROUSSEL UCLAF (FR) 1979-08-21 — — US disclosed
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