SCHEMBL6002376

SCHEMBL6002376

COC(=O)CCCCC(CCc1ccccc1OCc1ccc(C(C)(C)C)cc1)Oc1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
NR4A2 P43354 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
KMT2A Q03164 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 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
SCHEMBL7619419 0.92 NPSR1 (0.43) NPSR1RAB9AMAPTLMNAL3MBTL1
SCHEMBL13443487 0.90 PPARG (0.40) RAB9AMAPTLMNAL3MBTL1PTGER1
SCHEMBL6002321 0.85 RXRA (0.51) NPSR1RAB9AL3MBTL1RXRARXRB
SCHEMBL3602387 0.85 MAPT (0.37) RAB9AMAPTLMNAL3MBTL1PTGER1
SCHEMBL13443503 0.83 PPARD (0.44) RAB9AMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL6001865 0.83 PPARG (0.43) RAB9AMAPTL3MBTL1PTGER1PTGER4
SCHEMBL6001819 0.82 PPARG (0.42) NPSR1RAB9AMAPTL3MBTL1RXRA
SCHEMBL3589134 0.82 PPARG (0.35) NPSR1RAB9AMAPTLMNAL3MBTL1
SCHEMBL13009644 0.80 NPSR1 (0.46) NPSR1RAB9AMAPTLMNAL3MBTL1
SCHEMBL3591129 0.79 MAPT (0.39) RAB9AMAPTL3MBTL1KMT2ACA1

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
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed