SCHEMBL6986044

SCHEMBL6986044

COC(OC)[C@@]1(C)C=Cc2cc(OS(C)(=O)=O)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA5A P35218 2/20 0.40
HIF1A Q16665 7/20 0.35
EPAS1 Q99814 7/20 0.35
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33

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
SCHEMBL6982323 1.00 CA2 (0.40) CA2CA5AHIF1AEPAS1HPGD
SCHEMBL9201705 0.79 CA12 (0.36) HIF1AEPAS1SMN1; SMN2GAAMEN1
SCHEMBL21257372 0.77 PTGS1 (0.37) CA2HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL6981088 0.76 NPSR1 (0.43) CA2HIF1AEPAS1CA12PTGS1
SCHEMBL9208134 0.76 HIF1A (0.43) CA2HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL9205782 0.74 CA9 (0.44) HIF1AEPAS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3258594 0.74 CA9 (0.44) HIF1AEPAS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL928563 0.74 CA9 (0.44) HIF1AEPAS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6980284 0.73 CA12 (0.40) CA12KDM4EPTGS1PTGS2XDH
SCHEMBL9206139 0.73 CA12 (0.40) CA12KDM4EPTGS1PTGS2XDH

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
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed