SCHEMBL8088288

SCHEMBL8088288

COc1ccc2c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)ccnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.56
CYP1A2 P05177 5/20 0.51
MAPT P10636 9/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
POLB P06746 5/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
PRNP P04156 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL8084665 0.79 CYP1A2 (0.57) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8076747 0.74 CYP1A2 (0.55) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8089979 0.71 CYP1A2 (0.51) CYP1A2MAPTKMT2AALDH1A1POLB
SCHEMBL8076711 0.70 MAPT (0.51) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8084078 0.70 CYP1A2 (0.58) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8084786 0.70 GCGR (0.59) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8089902 0.69 ALDH1A1 (0.50) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8084836 0.69 ALDH1A1 (0.54) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8084106 0.69 NPC1 (0.50) CYP1A2MAPTKMT2AALDH1A1POLB
SCHEMBL8084757 0.68 ALDH1A1 (0.49) CYP1A2MAPTKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed