SCHEMBL9348206

SCHEMBL9348206

COC1=C(OC)C(=O)C(C2CC(C(=O)O)Cc3ccccc32)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 2/20 0.35
PKM P14618 1/20 0.35
EDNRA P25101 4/20 0.34
EDNRB P24530 3/20 0.34
FABP5 Q01469 2/20 0.34
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33

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
SCHEMBL9345540 0.75 IDO1 (0.35) MEN1KMT2ACYP3A4IDO1PKM
SCHEMBL11002607 0.69 TSHR (0.40) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL9344193 0.68 SLC6A9 (0.43) MTNR1AMTNR1BSIGMAR1
SCHEMBL8370379 0.67 ALDH1A1 (0.42) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL31065849 0.66 ABAT (0.46) TSHRSIGMAR1
SCHEMBL10810985 0.66 ABAT (0.46) TSHRSIGMAR1
SCHEMBL10611457 0.66 FFAR1 (0.41) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL9348177 0.65 SLC6A9 (0.41) MEN1KMT2AMTNR1AMTNR1BHTR2C
Hydrochloric Acid SCHEMBL10810614 0.65 SIGMAR1 (0.45) TSHRSIGMAR1
SCHEMBL29443025 0.62 AKR1C3 (0.50) FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1197453-A None JP disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
JP-H01197453-A CYCLOCONDENSATION QUINONE DERIVATIVE SUNTORY LTD 1989-08-09 JP disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed