SCHEMBL7786378

SCHEMBL7786378

CCOc1cc(OC)cc2c1-c1c(OCCN(CC)CC)cccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CHRNA7 P36544 1/20 0.49
PTPN1 P18031 1/20 0.43
TTR P02766 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOB P27338 1/20 0.41
ESR1 P03372 1/20 0.41
KDR P35968 1/20 0.41
KCNA3 P22001 1/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 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
SCHEMBL8381770 0.94 MAPT (0.46) KMT2AMAPTCHRNA7PTPN1TTR
SCHEMBL7796371 0.93 MAPT (0.49) KMT2AMAPTCHRNA7PTPN1ALDH1A1
SCHEMBL7796533 0.93 MAPT (0.54) KMT2AMAPTCHRNA7TTRMAOB
SCHEMBL7786114 0.93 MAPT (0.51) KMT2AMAPTCHRNA7TTRMAOB
SCHEMBL7796335 0.93 KMT2A (0.51) KMT2AMAPTCHRNA7PTPN1ALDH1A1
SCHEMBL7792434 0.92 MAPT (0.51) KMT2AMAPTCHRNA7PTPN1ALDH1A1
SCHEMBL7792253 0.91 KMT2A (0.49) KMT2AMAPTCHRNA7PTPN1TTR
SCHEMBL7796132 0.90 MAPT (0.51) KMT2AMAPTCHRNA7TTRMAOB
SCHEMBL27564268 0.89 KMT2A (0.46) KMT2AMAPTCHRNA7PTPN1ALDH1A1
SCHEMBL7792813 0.89 MAPT (0.49) KMT2AMAPTCHRNA7TTRCYP1A2

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
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