SCHEMBL7835758

SCHEMBL7835758

COc1c(OCc2ccccc2)ccc2c(C=O)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
PIM1 P11309 3/20 0.41
PIM3 Q86V86 3/20 0.41
PIM2 Q9P1W9 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
LTA4H P09960 1/20 0.39
PLA2G2A P14555 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
SCHEMBL7835597 0.81 ALDH1A1 (0.49) ERN1MAPTTRIM24TRIM33PIM1
SCHEMBL4932467 0.81 LTA4H (0.59) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24379469 0.79 MAPT (0.49) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7097452 0.79 ERN1 (0.50) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4294807 0.76 CCNB2 (0.55) ERN1MAPTL3MBTL1CCNB2CDK1
SCHEMBL7823652 0.76 CTSV (0.56) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL187798 0.76 CTSV (0.56) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20663933 0.76 ERN1 (0.47) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24379166 0.76 CCNB2 (0.48) ERN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3543787 0.76 ERN1 (0.47) ERN1MAPTSMN1; SMN2NPC1RAB9A

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