SCHEMBL7256945

SCHEMBL7256945

CC1C(=O)C(c2ccccc2)=C(c2ccc3c(c2)Cc2ccccc2-3)C1(O)c1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SRD5A2 P31213 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP2 O95551 2/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
CYP1A2 P05177 2/20 0.35
ADRA2A P08913 1/20 0.35
MAOA P21397 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL7257012 0.74 CRHBP (0.72) CRHBPCRHR2SLC6A2SLC6A4SLC6A3
SCHEMBL7256885 0.74 CRHBP (0.72) CRHBPCRHR2SLC6A2SLC6A4SLC6A3
SCHEMBL7255647 0.70 CRHBP (0.62) CRHBPCRHR2MAPTKMT2AMEN1
SCHEMBL1482804 0.66 MAPT (0.57) SRD5A2SLC6A2SLC6A4SLC6A3TDP2
SCHEMBL1666630 0.66 MAPT (0.57) SRD5A2SLC6A2SLC6A4SLC6A3TDP2
SCHEMBL30172496 0.66 MAPT (0.57) SRD5A2SLC6A2SLC6A4SLC6A3TDP2
SCHEMBL30395577 0.64 ALDH1A1 (0.63) SRD5A2SLC6A2SLC6A4SLC6A3TDP2
SCHEMBL3414807 0.64 ALDH1A1 (0.63) SRD5A2SLC6A2SLC6A4SLC6A3TDP2
SCHEMBL1527421 0.64 MAOA (0.64) SRD5A2TDP2MAPTLMNACNR1
SCHEMBL30535823 0.61 ALDH1A1 (0.59) SRD5A2SLC6A2SLC6A4SLC6A3TDP2

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