SCHEMBL5138499

SCHEMBL5138499

CCC1(CC)CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
NR3C1 P04150 7/20 0.48
SIGMAR1 Q99720 6/20 0.48
EBP Q15125 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MTOR P42345 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL5547903 0.90 SIGMAR1 (0.47) KDM1ANR3C1SIGMAR1EBPMEN1
SCHEMBL23385700 0.90 KDM1A (0.49) KDM1ANR3C1SIGMAR1EBPMEN1
SCHEMBL2150153 0.88 SIGMAR1 (0.45) KDM1ASIGMAR1EBPTP53CYP1A2
SCHEMBL5548497 0.85 SIGMAR1 (0.49) KDM1ANR3C1SIGMAR1EBPMEN1
SCHEMBL15673547 0.84 NR3C1 (0.44) KDM1ANR3C1SIGMAR1EBPMEN1
SCHEMBL3296187 0.82 SIGMAR1 (0.54) KDM1ANR3C1SIGMAR1EBPMEN1
SCHEMBL6689892 0.82 NR3C1 (0.43) KDM1ANR3C1SIGMAR1EBP
SCHEMBL29598562 0.81 KDM1A (0.46) KDM1ASIGMAR1EBPMEN1KMT2A
SCHEMBL18428569 0.81 KDM1A (0.50) KDM1ASIGMAR1EBPMEN1KMT2A
SCHEMBL1417844 0.81 KDM1A (0.46) KDM1ASIGMAR1EBPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868976-B1 METHOD FOR PRODUCING CARDANOL (I) COGNIS IP MAN GMBH (DE) 2015-12-30 EP disclosed
EP-1871733-B1 METHOD FOR PRODUCING CARDANOL (II) COGNIS IP MAN GMBH (DE) 2012-11-28 EP disclosed
CN-100416905-C Fuel cell with reformer JAPAN ENERGY CORP (JP) 2008-09-03 CN disclosed
EP-1871733-A1 METHOD FOR PRODUCING CARDANOL (II) Cognis IP Management GmbH (DE) 2008-01-02 EP disclosed
EP-1868976-A1 METHOD FOR PRODUCING CARDANOL (I) Cognis IP Management GmbH (DE) 2007-12-26 EP disclosed
US-20070184311-A1 Fuel cell with reformer JAPAN ENERGY CORPORATION (JP) 2007-08-09 US disclosed
WO-2006108546-A1 METHOD FOR PRODUCING CARDANOL (II) COGNIS IP MANAGEMENT GMBH (DE) 2006-10-19 WO disclosed
WO-2006108545-A1 METHOD FOR PRODUCING CARDANOL (I) COGNIS IP MANAGEMENT GMBH (DE) 2006-10-19 WO disclosed
CN-1816936-A Fuel cell with reformer JAPAN ENERGY CORP (JP) 2006-08-09 CN disclosed
EP-1662598-A1 FUEL CELL WITH REFORMER Japan Energy Corporation (JP) 2006-05-31 EP disclosed
EP-0425740-B1 Adsorptive separation of para-xylene UOP INC (US) 1994-06-01 EP disclosed
US-5177295-A Chromatography, adsorption UOP (US) 1993-01-05 US disclosed
US-5171922-A Preventing accumulation of C9 isomers in desorbent by directing stream split from extract bottoms to raffinate fractionator UOP (US) 1992-12-15 US disclosed
US-5107062-A Selective adsorption, cation exchanging UOP (US) 1992-04-21 US disclosed
US-5057643-A Zeolitic para-xylene separation with tetralin derivatives as heavy desorbent UOP (US) 1991-10-15 US disclosed
EP-0425740-A1 Adsorptive separation of para-xylene UOP (US) 1991-05-08 EP disclosed
US-4956522-A ADSORBERS HAVING POTASSIUM IONS, CHROMATOGRAPHY UOP (US) 1990-09-11 US disclosed