SCHEMBL7257013

SCHEMBL7257013

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.72
CRHR2 Q13324 1/20 0.72
PTGS2 P35354 8/20 0.37
PTGS1 P23219 4/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4B Q07343 1/20 0.33
CCR2 P41597 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
POLB P06746 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL7256885 1.00 CRHBP (0.72) CRHBPCRHR2PTGS2PTGS1MEN1
SCHEMBL7257012 1.00 CRHBP (0.72) CRHBPCRHR2PTGS2PTGS1MEN1
SCHEMBL7255647 0.92 CRHBP (0.62) CRHBPCRHR2PTGS2PTGS1MEN1
SCHEMBL8017542 0.79 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1CYP3A4
SCHEMBL8017544 0.79 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1CYP3A4
SCHEMBL8023972 0.79 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1CYP3A4
SCHEMBL8017540 0.79 CRHBP (0.50) CRHBPCRHR2PTGS2PTGS1CYP3A4
SCHEMBL7255719 0.78 CRHBP (0.49) CRHBPCRHR2PTGS2PTGS1MEN1
SCHEMBL7256945 0.74 CRHBP (0.43) CRHBPCRHR2MEN1CYP3A4KMT2A
SCHEMBL25834334 0.73 CRHBP (0.57) CRHBPCRHR2MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003080553-A1 CYCLOPENTENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-10-02 WO disclosed