SCHEMBL7732726

SCHEMBL7732726

CC1(C2(C34CC5CC(CC(C5)C3)C4)CCCCC2)CCCCC1.O=C(O)OC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
EPHX1 P07099 2/20 0.30
EPHX2 P34913 1/20 0.30
HSD11B1 P28845 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
Bicarbonate SCHEMBL7732737 0.90 L3MBTL1 (0.36) ALDH1A1L3MBTL1TSHRSCN1ASCN2A
SCHEMBL7739288 0.89 L3MBTL1 (0.38) ALDH1A1L3MBTL1TSHRSCN1ASCN2A
Bicarbonate SCHEMBL7732891 0.78 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRSCN1ASCN2A
Bicarbonate SCHEMBL7739293 0.78 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRSCN1ASCN2A
SCHEMBL7733357 0.65 GLA (0.30)
Adamantane SCHEMBL3981831 0.64 HSD11B1 (0.40) L3MBTL1TSHREPHX1EPHX2HSD11B1
SCHEMBL7732742 0.64 EPHX1 (0.32) ALDH1A1EPHX1EPHX2
SCHEMBL2999577 0.61
SCHEMBL3001577 0.61
SCHEMBL4270904 0.61 APLNR (0.32)

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-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed