SCHEMBL8618012

SCHEMBL8618012

CON=C1CCOc2ccc(C(=O)O)c(SC)c21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
FABP3 P05413 2/20 0.32
FABP5 Q01469 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL8871670 0.79 GAA (0.31) GAAHTTKDM4EMEN1KMT2A
SCHEMBL27393617 0.79 FABP4 (0.31) FABP4NPC1ALDH1A1TP53RAB9A
SCHEMBL8551341 0.78 FABP4 (0.31) FABP4GAAHTTFABP3FABP5
SCHEMBL6203050 0.70 KDM4E (0.44) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL27527651 0.70 MEN1 (0.40) FABP4NPC1ALDH1A1TP53RAB9A
Hydrochloric Acid SCHEMBL6184322 0.69 KDM4E (0.43) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL8304938 0.68 TSHR (0.41) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL8870971 0.67
SCHEMBL8870803 0.67
SCHEMBL8616718 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849926-A Pyrazole derivatives and herbicides containing the same IDEMITSU KOSAN CO., LTD. (JP) 1998-12-15 US disclosed
US-5756759-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
US-5591868-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN CO., LTD. (JP) 1997-01-07 US disclosed
EP-0728756-A1 PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-08-28 EP disclosed
US-5506194-A CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-09 US disclosed