SCHEMBL20401293

SCHEMBL20401293

CCCCC(=O)N(CC#Cc1ccc(C(=O)N2CCN(C(=O)O)CC2)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.48
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GRM5 P41594 1/20 0.39
GPR183 P32249 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR7 P34969 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
SCHEMBL22367976 0.91 LTB4R2 (0.57) LTB4R2MEN1KMT2AGRM5LMNA
SCHEMBL18426093 0.90 LTB4R2 (0.56) LTB4R2MEN1KMT2AGPR183POLB
SCHEMBL18425358 0.90 LTB4R2 (0.43) LTB4R2MEN1KMT2AGPR183POLB
SCHEMBL20400018 0.89 LTB4R2 (0.49) LTB4R2GRM5LMNAMAPK1RAB9A
SCHEMBL20399487 0.89 LTB4R2 (0.43) LTB4R2LMNAMAPK1RAB9AALDH1A1
SCHEMBL20183882 0.88 LTB4R2 (0.42) LTB4R2MEN1KMT2AALDH1A1HPGD
SCHEMBL18424713 0.85 LTB4R2 (0.67) LTB4R2GRM5POLBLMNAMAPK1
SCHEMBL18425011 0.84 LTB4R2 (0.58) LTB4R2KMT2AGRM5LMNAMAPK1
SCHEMBL18424630 0.83 LTB4R2 (0.55) LTB4R2MEN1KMT2AGRM5LMNA
SCHEMBL18425960 0.82 LTB4R2 (0.68) LTB4R2MEN1KMT2AGRM5POLB

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