SCHEMBL7860033

SCHEMBL7860033

O=C(CC1CCCCN1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KHK P50053 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 6/20 0.46
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45

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
SCHEMBL11343167 0.95 KHK (0.52) POLBKHKKMT2AALDH1A1MAPT
SCHEMBL678709 0.86 POLB (0.44) POLBKHKKMT2AMAPTLTA4H
SCHEMBL465990 0.86 POLB (0.44) POLBKHKKMT2AMAPTLTA4H
SCHEMBL466055 0.86 POLB (0.51) POLBKHKKMT2ALTA4H
SCHEMBL465870 0.86 KHK (0.51) POLBKHKALDH1A1MAPTL3MBTL1
SCHEMBL1779920 0.84 POLB (0.46) POLBKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL1779921 0.84 POLB (0.46) POLBKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL679264 0.84 LTA4H (0.54) POLBKHKLTA4H
SCHEMBL11805775 0.84 KHK (0.52) POLBKHKALDH1A1MAPTL3MBTL1
SCHEMBL8594147 0.82 KHK (0.46) POLBKHKKMT2AALDH1A1MAPT

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-103254154-A Novel method for preparing mesylate pridinol CHONGQING BEIBEI RES INST OF MODERN APPLIED MEDICINES 2013-08-21 CN disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed