SCHEMBL6286529

SCHEMBL6286529

COC(=O)CCCC(Cc1ccc(C(=O)OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.42
RAB9A P51151 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CYP4F2 P78329 1/20 0.41
FOLH1 Q04609 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1B Q00975 1/20 0.37

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
SCHEMBL9657880 0.96 CYP4A11 (0.41) CYP4A11RAB9ALOXL2CYP4F2FOLH1
SCHEMBL6000361 0.85 FOLH1 (0.54) CYP4A11RAB9ALOXL2CYP4F2FOLH1
SCHEMBL23792335 0.82 LOXL2 (0.53) CYP4A11RAB9ALOXL2CYP4F2CA1
SCHEMBL9442211 0.81 FOLH1 (0.53) CYP4A11RAB9ALOXL2CYP4F2FOLH1
SCHEMBL20168730 0.79 CPA3 (0.46) FOLH1CA1CA2CACNA1B
SCHEMBL20179137 0.78 FOLH1 (0.54) FOLH1HDAC1HDAC6
SCHEMBL23582773 0.78 LOXL2 (0.49) CYP4A11LOXL2CYP4F2CA1CA2
SCHEMBL6000353 0.77 CYP4A11 (0.49) CYP4A11RAB9ALOXL2CYP4F2CA1
SCHEMBL28393119 0.77 LOXL2 (0.51) CYP4A11LOXL2CYP4F2CA1CA2
SCHEMBL6001848 0.76 CYP4A11 (0.44) CYP4A11RAB9ALOXL2CYP4F2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed