SCHEMBL7375337

SCHEMBL7375337

O=C[C@@H]1CSNC1C(=O)C=Cc1ccc(CCCCCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
AKR1B10 O60218 3/20 0.39
AKR1B1 P15121 3/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX5 P09917 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
TRPA1 O75762 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
SCHEMBL7370236 0.90 S1PR1 (0.48) CYSLTR2CYSLTR1S1PR1S1PR3
SCHEMBL7370572 0.81 MAPT (0.46) HDAC1HDAC2MAPTRXFP1ALOX5
SCHEMBL7366401 0.78 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL7372051 0.74 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL7375341 0.70 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL7375339 0.70 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3105287 0.70 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3105298 0.70 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL7374066 0.69 S1PR3 (0.40) LMNAMAPTPKMMEN1ALDH1A1
SCHEMBL10585926 0.68 L3MBTL1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461677-B1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO (JP) 1997-04-16 EP claimed
EP-0461677-A1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP claimed
US-4857537-A PREVENTING AMNESIA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US claimed
EP-0280956-A1 Thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP claimed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 WO disclosed