SCHEMBL11112031

SCHEMBL11112031

O=C1CC2(CCCC2)Oc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.71
MAOA P21397 4/20 0.60
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
NFKB1 P19838 1/20 0.58
GRM5 P41594 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.53
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL619838 0.98 MAOB (0.71) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL13339685 0.90 MAOB (0.67) MAOBMAOAALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL3493369 0.89 MAOB (0.65) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL4726898 0.83 MAOB (1.00) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL4348338 0.83 KDM4E (0.60) MAOBALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3493811 0.81 MAOB (0.58) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL3493808 0.81 MAOB (0.58) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL618064 0.81 MAOB (0.52) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL13339743 0.81 ALDH1A1 (0.56) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL618063 0.81 MAOB (0.52) MAOBMAOAALDH1A1HPGDNPC1

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
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4185112-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed