SCHEMBL7699624

SCHEMBL7699624

CCCCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.47
DDX3X O00571 2/20 0.46
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CDC25A P30304 1/20 0.43
EPHX2 P34913 2/20 0.43
PTGES O14684 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL7701312 0.97 CDC25A (0.46) DGAT1DDX3XHPGDUSP2TSHR
SCHEMBL7693513 0.95 DGAT1 (0.48) DGAT1DDX3XHPGDSMN1; SMN2CNR1
SCHEMBL7700054 0.91 NPC1 (0.50) DGAT1DDX3XHPGDCNR1CNR2
SCHEMBL7702160 0.90 EPHX2 (0.44) DGAT1CNR1CNR2EPHX2PTGES
SCHEMBL7696432 0.89 CNR1 (0.43) DGAT1SMN1; SMN2CNR1CNR2EPHX2
SCHEMBL7701069 0.89 POLB (0.48) DGAT1CNR1CNR2EPHX2PTGES
SCHEMBL7695821 0.88 ECE1 (0.49) DGAT1DDX3XHPGDSMN1; SMN2CNR1
SCHEMBL7693795 0.88 KDM4E (0.51) DGAT1DDX3XSMN1; SMN2CNR1CNR2
SCHEMBL7700562 0.87 ALDH1A1 (0.49) DGAT1HPGDUSP2SMN1; SMN2CNR1
SCHEMBL7696225 0.87 EPHX2 (0.45) DGAT1HPGDNPSR1CNR1CNR2

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed