SCHEMBL8046676

SCHEMBL8046676

O=C(O)C1(C(=O)O)C=Cc2ccccc2C1c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
IDO1 P14902 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5248281 0.79 KDM1A (0.38) EPHX1MTNR1AMTNR1BIDO1CYP1A2
SCHEMBL11614041 0.79 KDM1A (0.38) EPHX1MTNR1AMTNR1BIDO1CYP1A2
SCHEMBL2155195 0.79 KDM1A (0.43) EPHX1MTNR1AIDO1KDM4ETDP2
SCHEMBL7999943 0.77 KDM1A (0.39) EPHX1MTNR1AMTNR1BIDO1CYP1A2
SCHEMBL7775994 0.76 KDM1A (0.38) MTNR1AMTNR1BIDO1KDM4ETDP2
SCHEMBL10476854 0.76 KDM1A (0.38) EPHX1MTNR1AIDO1CYP1A2CYP2C9
SCHEMBL14931728 0.75 IDO1 (0.36) EPHX1MTNR1AMTNR1BIDO1KDM4E
SCHEMBL8828017 0.75 GPR84 (0.36) EPHX1MTNR1AMTNR1BIDO1KDM4E
SCHEMBL5619561 0.75 GPR84 (0.36) EPHX1MTNR1AMTNR1BIDO1KDM4E
SCHEMBL8828006 0.75 GPR84 (0.36) EPHX1MTNR1AMTNR1BIDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021426-A4 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2000-07-26 EP disclosed
EP-1021426-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-07-26 EP disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 WO disclosed