SCHEMBL11599724

SCHEMBL11599724

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
PTPN1 P18031 2/20 0.43
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
HTT P42858 3/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CES2 O00748 1/20 0.38
SRD5A2 P31213 1/20 0.38
LIG1 P18858 1/20 0.37
CYP2C19 P33261 1/20 0.37
EYA3 Q99504 1/20 0.37
DEGS1 O15121 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL11599564 0.90 MEN1 (0.44) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL11599360 0.88 AKR1C3 (0.41) MAPTLMNAMEN1KMT2AHTT
SCHEMBL11599734 0.86 MEN1 (0.42) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL11600447 0.85 CA12 (0.41) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL11600615 0.85 MEN1 (0.41) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL11599650 0.84 ALDH1A1 (0.51) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL11602662 0.81 KMT2A (0.43) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL11548807 0.79 LMNA (0.46) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL11598774 0.78 EPHX2 (0.41) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL11600143 0.78 RARB (0.47) GAA

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