SCHEMBL9562844

SCHEMBL9562844

O=C(Nc1ccccc1)C1=C(O)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
TP53 P04637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PTPN1 P18031 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 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
SCHEMBL8762690 0.84 DHODH (0.76) DHODHPOLBHPGDPARP1PARP15
SCHEMBL27536466 0.81 PARP1 (0.60) DHODHTP53MEN1KMT2AHTT
SCHEMBL11346358 0.81 DHODH (0.54) DHODHMEN1KMT2APOLBHPGD
SCHEMBL3915670 0.80 DHODH (0.81) DHODHTP53MEN1KMT2AHTT
SCHEMBL11468503 0.76 HSD17B10 (0.49) DHODHMEN1KMT2APOLBLMNA
SCHEMBL3915266 0.75 DHODH (0.77) DHODHMEN1KMT2APOLBPARP1
SCHEMBL20512531 0.72 TP53 (0.56) TP53MEN1KMT2AHTTKDM4E
SCHEMBL21874 0.72 MAPK1 (0.56) DHODHMEN1KMT2APOLBHPGD
SCHEMBL249112 0.71 DHODH (1.00) DHODHPARP1PARP15PARP10PTPN1
SCHEMBL6692379 0.70 HDAC2 (0.58) TP53MEN1KMT2AHTTKDM4E

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
WO-1993005037-A1 OXETANE AND THIAETANE DERIVATIVES CIBA-GEIGY AG (CH) 1993-03-18 WO claimed
EP-0530642-A1 Herbicidal oxetane and thiaetane derivatives CIBA-GEIGY AG (CH) 1993-03-10 EP claimed
WO-1993005037-A1 OXETANE AND THIAETANE DERIVATIVES CIBA-GEIGY AG (CH) 1993-03-18 WO disclosed
EP-0530642-A1 Herbicidal oxetane and thiaetane derivatives CIBA-GEIGY AG (CH) 1993-03-10 EP disclosed