SCHEMBL20399487

SCHEMBL20399487

CCCCC(=O)N(CC#Cc1cccc(C(=O)N2CCN(C(=O)O)CC2)c1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.43
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL18426164 0.91 LTB4R2 (0.51) LTB4R2LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL18425843 0.90 LTB4R2 (0.39) LTB4R2LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL20401293 0.89 LTB4R2 (0.48) LTB4R2LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL18424860 0.88 LMNA (0.43) LTB4R2LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL20183889 0.86 LTB4R2 (0.58) LTB4R2LMNAMAPK1TSHRRAB9A
SCHEMBL18425364 0.84 LTB4R2 (0.60) LTB4R2LMNAMAPK1RAB9A
SCHEMBL20400018 0.84 LTB4R2 (0.49) LTB4R2LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL18425217 0.84 LTB4R2 (0.47) LTB4R2LMNAMAPK1RAB9A
SCHEMBL22367976 0.82 LTB4R2 (0.57) LTB4R2LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL20183893 0.82 CNR2 (0.46) LTB4R2LMNAKDM4EMAPK1RAB9A

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-3327000-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2020-09-02 EP claimed
WO-2018135918-A1 PHARMACEUTICAL COMPOSITION COMPRISING COMPOUND HAVING BLT INHIBITING ACTIVITY AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE 동국대학교 산학협력단 2018-07-26 WO disclosed