SCHEMBL11428707

SCHEMBL11428707

COc1cc(COC(=O)C2Cc3sccc3CN2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ FKBP1A P62942 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11558268 0.87 ACE (0.46) CA9CA2DRD2DRD1KDM4E
SCHEMBL11562455 0.83 MMP9 (0.45) HTT
SCHEMBL11427641 0.81 ACE (0.42) FKBP1AALDH1A1TDP1
SCHEMBL11427389 0.80 MAPT (0.41) KDM4EPOLBMEN1KMT2AFKBP1A
Hydrochloric Acid SCHEMBL11560085 0.80 ACE (0.41) FKBP1ATDP1
SCHEMBL11563644 0.72 FKBP1A (0.42) FKBP1AALDH1A1TDP1
SCHEMBL11562628 0.71 ALDH1A1 (0.46) DRD1KDM4EMAPK1ALDH1A1
SCHEMBL11433556 0.69 MAPT (0.44) POLBMEN1KMT2A
SCHEMBL11554022 0.69 BRD4 (0.38) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL11557147 0.68 ACE (0.53) —

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-4193997-A ANTICOAGULANT, HTROMBOSIS, ANALGESICS, ANTIINFLAMMATORY PARCOR (FR) 1980-03-18 — — US disclosed
US-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
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