SCHEMBL7794802

SCHEMBL7794802

C=CCOc1ccc(-c2c(OC(C)C)cccc2C(=O)O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 5/20 0.41
TSHR P16473 1/20 0.40
PTPN1 P18031 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
FLT3 P36888 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CTSA P10619 1/20 0.38
EDNRB P24530 1/20 0.38
MGAM O43451 3/20 0.37
SI P14410 3/20 0.37

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
SCHEMBL7786572 0.88 ALDH1A1 (0.41) ALDH1A1GAATSHRPTPN1SMN1; SMN2
SCHEMBL7796136 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL7786417 0.86 POLB (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL8518742 0.84 GAA (0.40) ALDH1A1GAATSHRPTPN1SMN1; SMN2
SCHEMBL7794937 0.75 FABP3 (0.49) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL7786415 0.74 KEAP1 (0.48) ALDH1A1TSHRKDM4ENPC1HSP90AA1
SCHEMBL7796074 0.74 SHMT2 (0.35) ALDH1A1GAAPTPN1KDM4EMGAM
SCHEMBL7792245 0.74 KEAP1 (0.43) ALDH1A1TSHRKDM4ENPC1HPGD
SCHEMBL7795671 0.74 KEAP1 (0.47) ALDH1A1TSHRKDM4ENPC1HPGD
SCHEMBL31311029 0.73 LIG1 (0.48) ALDH1A1GAATSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed