SCHEMBL27430751

SCHEMBL27430751

CCC(=O)Oc1ccc(C)cc1C1CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP2D6 P10635 1/20 0.41
FGFR1 P11362 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABL1 P00519 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
SCHEMBL4479104 0.75 NPC1 (0.42) PTGDR2ALDH1A1NPC1RAB9AGAA
SCHEMBL30496227 0.74 NPC1 (0.38) PTGDR2ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL1617366 0.74 NPC1 (0.38) PTGDR2ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL15558301 0.70 ALOX15 (0.60) ALOX15FGFR1MAPTGAALMNA
SCHEMBL7537504 0.69 L3MBTL1 (0.59) ALOX15ALDH1A1MAPTGAALMNA
SCHEMBL15547885 0.69 ALOX15 (0.63) ALOX15GAALMNAHPGDKDM4E
SCHEMBL28428387 0.68 ALOX15 (0.49) ALOX15ALDH1A1MAPTGAALMNA
SCHEMBL23887393 0.67 ABL1 (0.61) ALOX15CYP2D6ALDH1A1CYP1A2MAPT
Propionic Acid SCHEMBL10451550 0.67 ALOX15 (0.55) PTGDR2ALOX15FGFR1MAPTGAA
SCHEMBL5254475 0.67 UGT2B17 (0.38) ALDH1A1NPC1RAB9ALMNAHPGD

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
CN-1105706-C Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2003-04-16 CN disclosed
CN-1305993-A Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor SEARLE & CO (US) 2001-08-01 CN disclosed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 CN disclosed