SCHEMBL23948375

SCHEMBL23948375

O=C1Nc2ccc([C@H]3CC4C=CC3C4)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
TGM2 P21980 5/20 0.43
CES1 P23141 4/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CASP3 P42574 5/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CAPN9 O14815 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
SLC6A11 P48066 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
SCHEMBL11567847 0.81 PPOX (0.39) MAOAMAOBALDH1A1
SCHEMBL1768001 0.76 TGM2 (0.53) MAOAMAOBTGM2CES1PDE3B
SCHEMBL18719779 0.74 PTPRC (0.40) MAOACES1ALDH1A1
SCHEMBL11654688 0.73 ALDH1A1 (0.43) CASP3ALDH1A1
SCHEMBL9097437 0.73 EPHX2 (0.53) MAOAMAOBTGM2CES1PDE3B
SCHEMBL7028847 0.72 ALDH1A1 (0.35) MAOBALDH1A1
SCHEMBL9053949 0.72 EPHX2 (0.55) MAOAMAOBTGM2CES1PDE3B
SCHEMBL9098040 0.72 EPHX2 (0.55) MAOAMAOBTGM2CES1PDE3B
SCHEMBL6234699 0.71 KDM1A (0.38) MAOAMAOBALDH1A1
SCHEMBL16530012 0.71 KDM1A (0.38) MAOAMAOBALDH1A1

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
US-20210324118-A1 ENHANCED YIELD, STRUCTURAL CONTROL, AND TRANSPORT PROPERTIES OF POLYNORBORNENES FOR NATURAL GAS UPGRADING THROUGH MIZOROKI-HECK CROSS-COUPLINGS SAUDI ARABIAN OIL COMPANY (SA) 2021-10-21 US disclosed