SCHEMBL4416629

SCHEMBL4416629

C[CH]c1ccc(OCc2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 4/20 0.50
LMNA P02545 2/20 0.50
APP P05067 3/20 0.49
HTT P42858 1/20 0.49
FOLH1 Q04609 1/20 0.49
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL852240 0.89 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL6813826 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL11565369 0.83 LRRK2 (0.59) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL4416634 0.83 FOLH1 (0.58) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL11563262 0.83 MAOB (0.56) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL853069 0.82 FOLH1 (0.57) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL1646582 0.82 RXRA (0.56) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL5431545 0.82 LRRK2 (0.63) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL6680832 0.82 HPGD (0.51) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL9789583 0.82 PTGER1 (0.61) HPGDLMNACYP2C9KCNA3

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-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
CN-1208314-C Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2005-06-29 CN disclosed
CN-1427818-A Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2003-07-02 CN disclosed