SCHEMBL9513671

SCHEMBL9513671

CCCc1c(OCCCOc2ccc(Cl)c3ccccc23)ccc2c1OC(CCC(=O)OCC)(CCC(=O)OCC)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.41
LTB4R2 Q9NPC1 12/20 0.41
MCL1 Q07820 4/20 0.40
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9513264 0.91 LTB4R (0.49) LTB4RLTB4R2MCL1KMT2A
SCHEMBL9512457 0.90 LTB4R (0.43) LTB4RLTB4R2MCL1BCL2BCL2L1
SCHEMBL9515326 0.87 LTB4R (0.43) LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9512244 0.87 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9513652 0.86 LTB4R (0.43) LTB4RLTB4R2MAPK1KDM4EALDH1A1
SCHEMBL9513132 0.86 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9513714 0.86 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9515370 0.86 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9513208 0.86 LTB4R (0.43) LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9515360 0.83 LTB4R (0.43) LTB4RLTB4R2KMT2AKDM4EMEN1

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-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed