SCHEMBL7353113

SCHEMBL7353113

CC(C)[Si](Oc1ccc(-c2ccccc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LSS P48449 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL706142 0.87 CA4 (0.42) MAOAMAOBKDM4ELMNA
SCHEMBL7438978 0.81 ABL1 (0.53) CYP1A2CYP2C9CYP2C19MAOBALDH1A1
SCHEMBL10314168 0.80 ESR1 (0.31) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7354667 0.80 MRGPRX4 (0.50) MAOB
SCHEMBL3027317 0.76 CHRM2 (0.30)
SCHEMBL17070018 0.76 ELANE (0.58) GAAALDH1A1NPC1RAB9ANPSR1
SCHEMBL13043497 0.76 ACHE (0.44) GAACYP2C9MAPTALDH1A1NPC1
SCHEMBL29031571 0.76 NPC1 (0.47) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL22360450 0.75 LMNA (0.49) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL19661865 0.74 KDM4E (0.47) GAAPKMMAPTALDH1A1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed