SCHEMBL6822744

SCHEMBL6822744

O=C(C=Cc1cc2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 3/20 0.55
CYP2A6 P11509 1/20 0.54
IDO1 P14902 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.51
CYP1B1 Q16678 2/20 0.51
PLIN1 O60240 1/20 0.51
BCHE P06276 1/20 0.51
TNFRSF1A P19438 1/20 0.51
ACHE P22303 1/20 0.51
MAOB P27338 1/20 0.51
RECQL P46063 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
KMT2A Q03164 3/20 0.51

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
SCHEMBL6822742 1.00 MAPT (0.55) MAPTRAB9ACYP2A6IDO1NPSR1
SCHEMBL29455098 0.87 CYP2A6 (0.58) MAPTRAB9ACYP2A6IDO1NPSR1
SCHEMBL30640889 0.87 CYP2A6 (0.58) MAPTRAB9ACYP2A6IDO1NPSR1
SCHEMBL179872 0.87 CYP2A6 (0.58) MAPTRAB9ACYP2A6IDO1NPSR1
SCHEMBL245110 0.87 CYP2A6 (0.58) MAPTRAB9ACYP2A6IDO1NPSR1
SCHEMBL19307571 0.82 MAOB (0.62) MAPTRAB9ANPSR1LMNACYP1B1
SCHEMBL19307573 0.82 MAOB (0.62) MAPTRAB9ANPSR1LMNACYP1B1
SCHEMBL3220733 0.82 CYP2A6 (0.56) MAPTCYP2A6IDO1NPSR1CYP1A2
SCHEMBL3220717 0.82 CYP2A6 (0.56) MAPTCYP2A6IDO1NPSR1CYP1A2
SCHEMBL13229465 0.82 CYP2A6 (0.56) MAPTCYP2A6IDO1NPSR1CYP1A2

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-0812825-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-02-11 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-0812825-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-17 EP disclosed
EP-0770601-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-02 EP disclosed