SCHEMBL11599564

SCHEMBL11599564

O=C(c1ccc(O)cc1)c1c(-c2ccccc2)c2cc(O)ccc2[s+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PTPN1 P18031 2/20 0.39
ESR1 P03372 3/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL11599734 0.96 MEN1 (0.42) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL11599724 0.90 MAPT (0.45) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL11600615 0.86 MEN1 (0.41) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL11600447 0.82 CA12 (0.41) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL11599360 0.78 AKR1C3 (0.41) MEN1KMT2ALMNAMAPTGAA
SCHEMBL11599650 0.75 ALDH1A1 (0.51) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL11600056 0.75 LTA4H (0.56) MEN1KMT2ALMNAMAPTESR1
SCHEMBL11598835 0.75 MAPK1 (0.48) RAB9ALMNAMAPTHPGD
SCHEMBL11600851 0.74 ALDH1A1 (0.46) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL11555138 0.73 MEN1 (0.44) MEN1KMT2ARAB9ALMNAMAPT

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-4093570-A CROSSLINKABLE, MIXED ORGANIC MEDIUM; ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-06 US disclosed
US-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed