SCHEMBL6938812

SCHEMBL6938812

CC(Nc1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 2/20 0.50
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
METAP2 P50579 4/20 0.48
METAP1 P53582 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GRK6 P43250 1/20 0.40

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
SCHEMBL6938817 1.00 KDM4E (0.50) KDM4EKMT2AEPHX1MEN1ALDH1A1
SCHEMBL729010 0.77 IDO1 (0.55) KDM4EALDH1A1RAB9ACA12CA2
SCHEMBL32575454 0.77 IDO1 (0.55) KDM4EALDH1A1RAB9ACA12CA2
SCHEMBL6078781 0.77 KDM4E (0.40) KDM4EKMT2AEPHX1MEN1ALDH1A1
SCHEMBL1241980 0.75 IDH1 (0.43) KMT2ARAB9ATAS1R3TAS1R1RPS6KB1
SCHEMBL31092447 0.75 SMN1; SMN2 (0.55) KDM4EKMT2AALDH1A1SMN1; SMN2TAS1R3
SCHEMBL2468694 0.75 KDM4E (0.60) KDM4EKMT2AEPHX1MEN1ALDH1A1
SCHEMBL11077693 0.73 KDM4E (0.58) KDM4EKMT2AEPHX1MEN1ALDH1A1
SCHEMBL16429036 0.73 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2TAS1R3
SCHEMBL15677758 0.72 KDM4E (0.57) KDM4EKMT2AEPHX1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091932-B1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION EURAND PHARMACEUTICALS LTD (IE) 2003-06-25 EP disclosed
US-6437167-B1 CHROMATOGRAPHIC COLUMNS FOR ANALYTICAL AND PREPARATIVE SEPARATION OF ENANTIOMERS; INTRODUCTION OF CHIRAL GROUPS ON 1,3-DICYANO-2,4,5,6-TETRACHLOROBENZENE BY SUBSTITUTION OF CHLORINE ATOMS, SPACER GROUP SOCIETA' COOPERATIVE CENTRO RICERCHE POLYTECH A RESPONSABILITIA' LIMITATA (IT) 2002-08-20 US disclosed
EP-1091932-A1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION Societa' Cooperativa Centro Ricerche Poly-Tech a Responsabilita' Limitata (IT) 2001-04-18 EP disclosed
WO-2000000464-A1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION SOCIETA' COOPERATIVA CENTRO RICERCHE POLY-TECH A RESPONSABILITA' LIMITATA (IT) 2000-01-06 WO disclosed