SCHEMBL7708871

SCHEMBL7708871

COC(=O)C1=Cc2ccccc2CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
TRPA1 O75762 5/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL5600204 0.79 CA12 (0.59) CA12CA9TRPA1ALOX15
SCHEMBL29476751 0.79 CA12 (0.59) CA12CA9TRPA1ALOX15
SCHEMBL7911204 0.78 CA12 (0.50) CA12CA9TRPA1TSHRKDM4E
SCHEMBL31090834 0.78 CA12 (0.50) CA12CA9TRPA1TSHRKDM4E
SCHEMBL7378104 0.75 CA12 (0.48) CA12CA9TRPA1POLBTSHR
SCHEMBL7714630 0.73 CA12 (0.46) CA12CA9TRPA1HSD17B10TSHR
SCHEMBL7714533 0.72 LMNA (0.30) SMN1; SMN2HPGDLMNA
SCHEMBL7712848 0.70 CA12 (0.43) CA12CA9TRPA1TSHRKDM4E
SCHEMBL7708862 0.70 CA12 (0.43) CA12CA9TRPA1TSHRKDM4E
SCHEMBL2738436 0.69 CA12 (0.62) CA12CA9MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed