SCHEMBL9458374

SCHEMBL9458374

CCc1cc([O])c2cc(OC(C)C)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
MCL1 Q07820 1/20 0.37

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
SCHEMBL9458485 0.84 KDM4E (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9458139 0.78 APP (0.43) MAPTPDE3BPDE3AALDH1A1KDM4E
SCHEMBL9680806 0.77 ALDH1A1 (0.40) TP53ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7837270 0.76 PDE3B (0.49) MAPTTP53PDE3BPDE3AALDH1A1
SCHEMBL9458576 0.74 ESR1 (0.51) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL9458592 0.74 DHODH (0.43) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL9458599 0.72 ALDH1A1 (0.37) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL9458614 0.72 TYMS (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9273904 0.72 KDM4E (0.47) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL2511086 0.69 KMT2A (0.45) MAPTTP53ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US claimed
EP-0495626-A1 Process for the preparation of tetrazole derivatives ZENECA LIMITED (GB) 1992-07-22 EP claimed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP claimed
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US disclosed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP disclosed