SCHEMBL11600522

SCHEMBL11600522

CCOc1ccc2c(c1)c(-c1ccccc1)c(C(=O)c1ccc(OC3CCCCC3)cc1)[s+]2[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SSTR5 P35346 1/20 0.38
EPHX2 P34913 2/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 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
SCHEMBL11600694 0.88 KAT6A (0.39) EPHX2KMT2AMTNR1A
SCHEMBL11598774 0.86 EPHX2 (0.41) LMNAEPHX2HPGDSMN1; SMN2RAB9A
SCHEMBL11598835 0.86 MAPK1 (0.48) LMNAMAPK1L3MBTL1HCRTR1HCRTR2
SCHEMBL11602076 0.82 MAPK1 (0.42) LMNAMAPK1L3MBTL1HCRTR1HCRTR2
SCHEMBL11600122 0.82 RARB (0.38) ALDH1A1KDM4E
SCHEMBL11598817 0.79 HTT (0.41) LMNAMAPK1L3MBTL1HCRTR1HCRTR2
SCHEMBL11621403 0.78 HCRTR1 (0.45) LMNAMAPK1L3MBTL1HCRTR1HCRTR2
SCHEMBL11600640 0.77 KAT6A (0.44) EPHX2NPC1MEN1KMT2A
SCHEMBL11600699 0.76 MAPK1 (0.46) LMNAMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL11602118 0.73 UBE2N (0.44) SMN1; SMN2RAB9AALDH1A1KDM4ENPC1

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
US-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed