SCHEMBL8310392

SCHEMBL8310392

CCOC(=O)C=C=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
THRB P10828 1/20 0.42
PIN1 Q13526 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4623615 0.75 CA2 (0.39) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL11533016 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL9869478 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL9869485 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL65066 0.75 HSP90AA1 (0.50) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL23351367 0.75 MEN1 (0.49) MEN1KMT2APOLBKDM4EALDH1A1
Bromide SCHEMBL6879691 0.73 HSP90AA1 (0.49) MEN1KMT2APOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9061399 0.73 HSP90AA1 (0.49) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL7933455 0.73 MEN1 (0.47) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20109332 0.72 MEN1 (0.51) MEN1KMT2APOLBKDM4EALDH1A1

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-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 EP disclosed
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed
EP-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed