SCHEMBL8430224

SCHEMBL8430224

COc1cc(C(=O)/C=C/c2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL8430231 1.00 MEN1 (0.58) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL7824305 0.87 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL7824299 0.87 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL7835457 0.87 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL7835462 0.87 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL8433327 0.83 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL8433315 0.83 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL8430196 0.78 MAPT (0.69) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL8430192 0.78 MAPT (0.69) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL4034048 0.77 TNFRSF1A (0.53) TNFRSF1APTPN1ABCB1

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-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0770601-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-02 EP disclosed