SCHEMBL6889768

SCHEMBL6889768

CCC(O)(CC)CCC=C(C)c1ccc(COc2ccc(C(=O)OC)c(C(=O)OC)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.37
ALOX5AP P20292 2/20 0.35
POLB P06746 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6889766 1.00 MRGPRX4 (0.37) MRGPRX4ALOX5APPOLBMAOBMAOA
SCHEMBL6562969 0.89 MRGPRX4 (0.34) MRGPRX4POLBMAOBTDP1L3MBTL1
SCHEMBL6562973 0.89 MRGPRX4 (0.34) MRGPRX4POLBMAOBTDP1L3MBTL1
SCHEMBL6883872 0.86 MRGPRX4 (0.34) MRGPRX4ALOX5APTDP1
SCHEMBL6883874 0.86 MRGPRX4 (0.34) MRGPRX4ALOX5APTDP1
SCHEMBL6885431 0.84 ALOX5AP (0.33) ALOX5APMAOBMAOATDP1MAPK1
SCHEMBL6883924 0.84 ALOX5AP (0.34) MRGPRX4ALOX5APMAOBMAOATDP1
SCHEMBL6883929 0.84 ALOX5AP (0.34) MRGPRX4ALOX5APMAOBMAOATDP1
SCHEMBL6885428 0.84 ALOX5AP (0.33) ALOX5APMAOBMAOATDP1MAPK1
SCHEMBL6564840 0.81 VDR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed