SCHEMBL28749335

SCHEMBL28749335

c1ccc(COc2ccc(CCCCc3c[nH]nn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
BCHE P06276 5/20 0.53
MGLL Q99685 2/20 0.51
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL27892139 0.83 HTR2A (0.42) SIGMAR1
SCHEMBL29869051 0.82 HTR2A (0.41) SIGMAR1
SCHEMBL28221103 0.82 HTR2A (0.41) SIGMAR1
SCHEMBL12040562 0.80 LTA4H (0.77) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL12630258 0.80 LTA4H (0.77) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL11077183 0.79 KCNA3 (0.53) LTA4H
SCHEMBL5046188 0.78 CALM1 (0.49) SIGMAR1
SCHEMBL22398022 0.78 LTA4H (0.56) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL30633021 0.78 LTA4H (0.56) LTA4HEPHX2BCHEMGLLFFAR1
SCHEMBL2643655 0.77 KCNH2 (0.50)

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
CN-1487935-A Improved water-soluble pharmaceutical compositions ����ҩƷ��ҵ��ʽ���� 2004-04-07 CN disclosed