SCHEMBL6509090

SCHEMBL6509090

O=Cc1ccc(C#CCn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSMD14 O00487 1/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL6528290 0.80 MAPT (0.38) PTGER4ALDH1A1TSPO
SCHEMBL6507951 0.78 PIM1 (0.52) POLBTDP1RAB9AHPGD
SCHEMBL6532952 0.78 PIM1 (0.52) POLBTDP1RAB9AHPGD
SCHEMBL6514234 0.77 LMNA (0.45) KDM4EALDH1A1TSHRTDP1NPC1
SCHEMBL17938363 0.72 PTGER4 (0.59) PTGER4POLBKDM4EALDH1A1TSHR
SCHEMBL6532221 0.71 MTNR1A (0.35) POLBALDH1A1TSHRNPSR1L3MBTL1
SCHEMBL8335552 0.70 CYP1A2 (0.56) POLBKDM4EALDH1A1TSHRNPSR1
SCHEMBL6511729 0.70 MEN1 (0.39) POLBKDM4EALDH1A1TSHRCYP1A2
SCHEMBL11829790 0.69 PTGER4 (0.72) PTGER4POLBKDM4EALDH1A1ATM
SCHEMBL1816905 0.68 ALDH1A1 (0.59) ALDH1A1ATML3MBTL1TDP1HSD17B10

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
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed