SCHEMBL4361544

SCHEMBL4361544

NC(CC1(O)CCCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
MAOB P27338 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4085148 0.81 ALOX5 (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3709825 0.81 NQO1 (0.40) LMNASLC6A2SLC6A3HRH3TSHR
SCHEMBL3347205 0.78 SLC6A4 (0.51) LMNACYP1A2SLC6A2CYP2C19SLC6A3
SCHEMBL8038690 0.78 SLC6A4 (0.51) LMNACYP1A2SLC6A2CYP2C19SLC6A3
SCHEMBL4618228 0.77 SLC6A2 (0.45) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27664368 0.77 SLC6A4 (0.46) SLC6A2SLC6A3RAB9AHRH3TSHR
SCHEMBL4627390 0.77 RAB9A (0.48) SMN1; SMN2RAB9AHRH3KMT2AMAPT
SCHEMBL3736177 0.77 ALOX5 (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10491762 0.77 ALOX5 (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
Hydrochloric Acid SCHEMBL3930855 0.77 SLC6A4 (0.52) LMNACYP1A2SLC6A2CYP2C19SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO disclosed