SCHEMBL8423601

SCHEMBL8423601

C=CCSC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
MAPT P10636 2/20 0.40
CES1 P23141 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 1/20 0.40
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL31131465 0.83 KMT2A (0.47) AKT1KMT2AALDH1A1HPGDPTPN1
SCHEMBL13367540 0.82 KMT2A (0.46) AKT1KMT2AALDH1A1HPGDPTPN1
SCHEMBL8311762 0.80 KMT2A (0.49) AKT1KMT2AALDH1A1HPGDPTPN1
SCHEMBL5831996 0.79 CYP1A2 (0.41) KMT2AALDH1A1HPGDMAPTMAPK1
SCHEMBL10911565 0.78 POLB (0.40) AKT1ALDH1A1HPGDLMNAMAPT
SCHEMBL27390903 0.78 AKT1 (0.39) AKT1ALDH1A1HPGDLMNAMAPT
SCHEMBL4201591 0.77 KMT2A (0.49) AKT1KMT2AALDH1A1HPGDLMNA
SCHEMBL16047247 0.76 KMT2A (0.52) KMT2AALDH1A1HPGDLMNAPTPN1
SCHEMBL5242614 0.76 AKT1 (0.38) AKT1KMT2AALDH1A1HPGDLMNA
SCHEMBL9756671 0.76 AKT1 (0.42) AKT1ALDH1A1HPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8146431-A None JP disclosed
JP-8146430-A None JP disclosed
EP-0757060-B1 Process for producing vinyl alcohol polymer KURARAY CO (JP) 1999-10-20 EP disclosed
US-5710211-A REACTION OF POLYMER WITH COMPOUND HAVING A THIOL OR THIOESTER AND HYDROLYSIS TO FORM VINYL ALCOHOL KURARAY CO., LTD. (JP) 1998-01-20 US disclosed
EP-0757060-A2 Process for producing vinyl alcohol polymer KURARAY CO., LTD. (JP) 1997-02-05 EP disclosed
JP-H08146431-A COMPOSITION FOR LIQUID CRYSTAL ORIENTED FILM, AND LIQUID CRYSTAL ORIENTED FILM HITACHI LTD 1996-06-07 JP disclosed
JP-H08146430-A LIQUID CRYSTAL DISPLAY ELEMENT HITACHI LTD 1996-06-07 JP disclosed
US-5229032-A Reacting p-aminobenzoic acid with sodium nitrite, then with alkylmercaptane, mineral acids to form alkylthiobenzoic acid, esterification SHOWA DENKO K.K. (JP) 1993-07-20 US disclosed
US-5055225-A High speed response SHOWA DENKO K.K. (JP) 1991-10-08 US disclosed
US-5055225-A High speed response SHOWA DENKO K.K. (JP) 1991-10-08 US disclosed
US-RE30370-E Flavoring foodstuffs with a thioester INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-08-12 US disclosed