SCHEMBL5223086

SCHEMBL5223086

Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
TOP1 P11387 2/20 0.59
TERT O14746 1/20 0.59
NR1H4 Q96RI1 6/20 0.57
PPARA Q07869 1/20 0.57
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
TOP2A P11388 1/20 0.53

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
SCHEMBL5227095 0.84 NR1H4 (0.78) PPARGNR1H4PPARASMN1; SMN2TP53
SCHEMBL5225162 0.82 NPC1 (0.69) PPARGNPC1RAB9AALDH1A1GLA
SCHEMBL7295495 0.82 POLB (0.72) PPARGNPC1RAB9AALDH1A1GLA
SCHEMBL5223315 0.82 RAB9A (0.73) PPARGNPC1RAB9AALDH1A1GLA
SCHEMBL23602954 0.80 NPC1 (0.66) NPC1RAB9AALDH1A1GLAATM
SCHEMBL14227314 0.79 MEN1 (0.70) PPARGNPC1RAB9AALDH1A1CA1
SCHEMBL5224950 0.78 RAB9A (0.68) PPARGNPC1RAB9AALDH1A1GLA
SCHEMBL5224891 0.78 RAB9A (0.59) PPARGNPC1RAB9AALDH1A1GLA
Hydrochloric Acid SCHEMBL6542444 0.77 RAB9A (0.56) PPARGNPC1RAB9AALDH1A1GLA
SCHEMBL7295331 0.77 RAB9A (0.67) PPARGNPC1RAB9AALDH1A1GLA

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-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed