SCHEMBL5494607

SCHEMBL5494607

COc1ccc(CC(C)CO)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
ALOX15 P16050 3/20 0.59
ALOX12 P18054 3/20 0.59
CA2 P00918 3/20 0.55
MMP1 P03956 1/20 0.54
CYP3A4 P08684 1/20 0.54
FOS P01100 1/20 0.53
TTR P02766 1/20 0.53
JUN P05412 1/20 0.53
NR3C1 P04150 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
STAT3 P40763 1/20 0.50
ATM Q13315 1/20 0.49
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL11911905 0.84 CYP3A4 (0.75) LDHAALOX15ALOX12CA2MMP1
SCHEMBL4072201 0.84 CYP3A4 (0.75) LDHAALOX15ALOX12CA2MMP1
SCHEMBL23966140 0.84 LDHA (0.57) LDHAALOX15ALOX12CA2CYP3A4
SCHEMBL10558447 0.82 ATM (0.58) LDHAALOX15ALOX12CA2CYP3A4
SCHEMBL9561046 0.82 LDHA (0.60) LDHAALOX15ALOX12CA2MMP1
SCHEMBL9026890 0.82 LDHA (0.60) LDHAALOX15ALOX12CA2CYP3A4
SCHEMBL4598863 0.81 LDHA (0.64) LDHAALOX15ALOX12CA2FOS
SCHEMBL4598867 0.81 LDHA (0.64) LDHAALOX15ALOX12CA2FOS
SCHEMBL31572667 0.81 LDHA (0.64) LDHAALOX15ALOX12CA2FOS
SCHEMBL4599982 0.81 LDHA (0.64) LDHAALOX15ALOX12CA2FOS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 WO disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed