SCHEMBL5033488

SCHEMBL5033488

C=C(C)c1ccccc1-c1ccc(CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.43
TP53 P04637 1/20 0.40
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
PPARG P37231 1/20 0.38
AGTR1 P30556 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 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
SCHEMBL5039117 0.81 BCL2 (0.43) TP53ALDH1A1MEN1KMT2ANPC1
SCHEMBL24093426 0.81 MEN1 (0.44) LTB4R2TP53SLC6A3SLC6A4AGTR1
SCHEMBL1588207 0.81 BCAT2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL29066698 0.79 SMN1; SMN2 (0.39) LTB4R2SLC6A3SLC6A4ALDH1A1MEN1
SCHEMBL10492731 0.79 KMT2A (0.40) LTB4R2TP53SLC6A3SLC6A4AGTR1
SCHEMBL202160 0.79 LTB4R2 (0.61) LTB4R2PPARGAGTR1RAB9ASMN1; SMN2
SCHEMBL15839742 0.77 IDO1 (0.44) LTB4R2TP53SLC6A3SLC6A4PPARG
SCHEMBL28116436 0.77 LTB4R2 (0.49) LTB4R2SLC6A3SLC6A4PPARGAGTR1
SCHEMBL7896340 0.77 SMN1; SMN2 (0.52) LTB4R2TP53SLC6A3SLC6A4PPARG
SCHEMBL30892679 0.77 BCAT2 (0.65) LTB4R2SLC6A3SLC6A4PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021182898-A1 COMPOSITION FOR ANTI-DIABETES AND ANTI-OBESITY COMPRISING NOVEL COMPOUND 애니젠 주식회사 2021-09-16 WO disclosed
US-7402645-B2 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070155923-A1 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-07-05 US disclosed