SCHEMBL7353733

SCHEMBL7353733

CC(C)=C1Oc2cccc(OCc3ccc(CCl)cc3)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PRKCA P17252 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
RXRA P19793 3/20 0.33
RXRB P28702 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RXRG P48443 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
STK17B O94768 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
HPD P32754 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7346833 0.91 MAOB (0.37) MAOBMAOAPRKCALTB4RLTB4R2
SCHEMBL7347199 0.84 MAOB (0.33) MAOBMAOAPRKCALTB4RLTB4R2
SCHEMBL7346994 0.82 TXNRD1 (0.34) MAOBMAOASTK17B
SCHEMBL6422310 0.82 MTNR1A (0.36) MAOBMAOAPRKCALMNASTK17B
SCHEMBL6426238 0.81 KCNA3 (0.37) MAOBMAOAPRKCAMAPTL3MBTL1
SCHEMBL7347057 0.78 STK17B (0.33) STK17BTDP1
SCHEMBL6820565 0.75 KCNA3 (0.36) MAOBMAOAPRKCAMAPTL3MBTL1
SCHEMBL6820552 0.72 STK17B (0.35) MAOBMAOAPRKCASTK17BTDP1
SCHEMBL6826208 0.71 F2RL3 (0.41) PRKCAL3MBTL1STK17BTDP1BRD4
SCHEMBL6421978 0.68 TYR (0.49) MAOBMAOAMAPTL3MBTL1HPGD

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-6307051-B1 UROKINASE-TYPE PLASMINOGEN ACTIVATOR ANTAGONISTS AND HAVE ANTITUMOR AND ANTIMETASTATIC ACTIVITY. ROCHE DIAGNOSTICS GMBH (DE) 2001-10-23 US disclosed
EP-1026165-A1 O-substituted Hydroxycoumaranone derivatives as antitumor and antimetastatic agents Roche Diagnostics GmbH (DE) 2000-08-09 EP disclosed