SCHEMBL8023972

SCHEMBL8023972

O=C1C(c2ccccc2)=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTGS2 P35354 6/20 0.33
PTGS1 P23219 3/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2B P41595 1/20 0.31
CA2 P00918 1/20 0.30
P2RX7 Q99572 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8017540 1.00 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1LMNA
SCHEMBL8017544 1.00 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1LMNA
SCHEMBL8017542 1.00 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1LMNA
SCHEMBL13170498 0.86 CRHBP (0.44) CRHBPCRHR2PTGS2PTGS1TP53
SCHEMBL13191513 0.83 CRHBP (0.41) CRHBPCRHR2PTGS2PTGS1MAPT
SCHEMBL7256885 0.79 CRHBP (0.72) CRHBPCRHR2PTGS2PTGS1CYP1A2
SCHEMBL7257013 0.79 CRHBP (0.72) CRHBPCRHR2PTGS2PTGS1CYP1A2
SCHEMBL7257012 0.79 CRHBP (0.72) CRHBPCRHR2PTGS2PTGS1CYP1A2
SCHEMBL3799748 0.77 CRHBP (0.37) CRHBPCRHR2MAPT
SCHEMBL3799750 0.75 CRHBP (0.35) CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828614-B1 ARTICLE INTENDED FOR MARKING AND A METHOD OF MARKING IT BICC PLC (GB) 2000-01-05 EP disclosed
EP-0828614-A1 METHOD OF MARKING AN ARTICLE BICC Public Limited Company (GB) 1998-03-18 EP disclosed
WO-1996037369-A1 METHOD OF MARKING AN ARTICLE BICC PUBLIC LIMITED COMPANY (GB) 1996-11-28 WO disclosed