SCHEMBL14190036

SCHEMBL14190036

c1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9cccs9)cc8)s7)cc6)s5)cc4)s3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.59
KCNH2 Q12809 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
DPP4 P27487 3/20 0.48
CYP2E1 P05181 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APP P05067 3/20 0.48

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
SCHEMBL29363583 1.00 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL12408419 1.00 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL785255 0.89 ALDH1A1 (0.53) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL338810 0.89 LTA4H (0.70) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL24141652 0.88 LTA4H (0.48) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL7455134 0.87 LTA4H (0.67) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL12372897 0.86 APP (0.51) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL7587637 0.85 DPP4 (0.50) LTA4HDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL12744124 0.85 LTA4H (0.50) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL24246076 0.84 LTA4H (0.46) LTA4HKCNH2CYP17A1CYP11B1CYP11B2

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
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed