SCHEMBL14229153

SCHEMBL14229153

CCCCC(CCCC)N(C(=O)CCC)c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.49
TP53 P04637 1/20 0.49
F2R P25116 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR3 P29371 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 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
SCHEMBL14543508 0.92 TP53 (0.51) LTB4R2TP53F2RHPGDSMN1; SMN2
SCHEMBL14228940 0.88 TP53 (0.53) LTB4R2TP53F2RHPGDSMN1; SMN2
SCHEMBL14200476 0.86 LTB4R2 (0.44) LTB4R2TP53HPGDSMN1; SMN2GAA
SCHEMBL14228936 0.86 LTB4R2 (0.47) LTB4R2TP53F2RHPGDSMN1; SMN2
SCHEMBL14229354 0.84 TP53 (0.49) LTB4R2TP53F2RHPGDSMN1; SMN2
SCHEMBL14230184 0.84 LTB4R2 (0.43) LTB4R2TP53HPGDTACR3GAA
SCHEMBL14229020 0.84 ALDH1A1 (0.49) LTB4R2TP53HPGDSMN1; SMN2MEN1
SCHEMBL14229687 0.83 TP53 (0.40) LTB4R2TP53L3MBTL1CNR2
SCHEMBL14229162 0.83 TP53 (0.50) LTB4R2TP53F2RHPGDSMN1; SMN2
SCHEMBL14229144 0.83 ALDH1A1 (0.45) LTB4R2TP53HPGDSMN1; SMN2GAA

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed