SCHEMBL7835579

SCHEMBL7835579

COc1ccc2[nH]cc(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
NPC1 O15118 1/20 0.73
MAPT P10636 1/20 0.73
RAB9A P51151 1/20 0.73
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
TUBB1 Q9H4B7 2/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56

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
SCHEMBL7835590 1.00 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7836434 0.91 TUBB1 (0.63) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7836438 0.91 TUBB1 (0.63) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7833184 0.89 MEN1 (0.57) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7833189 0.89 MEN1 (0.57) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7838733 0.88 TNFRSF1A (0.67) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7836422 0.88 TUBB1 (0.57) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7837141 0.88 MEN1 (0.56) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7838735 0.88 TNFRSF1A (0.67) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7836420 0.88 TUBB1 (0.57) ALDH1A1MEN1KMT2ANPC1MAPT

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
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
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-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 EP disclosed