SCHEMBL8362002

SCHEMBL8362002

CC(=O)OCCC(C1CCCCC1)C(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
EPHX1 P07099 3/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
LMNA P02545 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CHRM2 P08172 2/20 0.31
HTR1A P08908 2/20 0.31
CHRM1 P11229 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TSHR P16473 2/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL6438101 0.84 EPHX1 (0.33) EPHX1ALDH1A1SLC6A3TSHRNPSR1
SCHEMBL22614880 0.77 ALOX15 (0.41) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL27683439 0.76 ALOX15 (0.37) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL9893415 0.73 ALOX15 (0.35) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL27406979 0.72 ALOX15 (0.34) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9893489 0.71 ALOX15 (0.36) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL18439 0.69 EPHX1 (0.45) EPHX1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8896243 0.69 EPHX1 (0.45) EPHX1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3140009 0.69 ALOX15 (0.42) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28720305 0.69 EPHX1 (0.45) EPHX1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116106468-A Identification and inspection method of Weile Shu oral liquid 北京亚东生物制药(安国)有限公司 2023-05-12 CN claimed
CN-108318616-A A kind of Tlc Determination method of Groomwell root oil 佛山市洛克威特科技有限公司 2018-07-24 CN claimed
CN-116106468-A Identification and inspection method of Weile Shu oral liquid 北京亚东生物制药(安国)有限公司 2023-05-12 CN disclosed
CN-108318616-A A kind of Tlc Determination method of Groomwell root oil 佛山市洛克威特科技有限公司 2018-07-24 CN disclosed
WO-1999035129-A1 SUCCINIMIDE DERIVATIVES WHICH INHIBIT RETINOIC ACID METABOLISM UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-07-15 WO disclosed