SCHEMBL9830150

SCHEMBL9830150

CCOC(CCC1(c2ccc(OC)c(OC)c2)Sc2ccccc2N(C)C1=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.32
BACE1 P56817 4/20 0.32
CTSD P07339 3/20 0.32
BACE2 Q9Y5Z0 3/20 0.32
SMPD1 P17405 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9828930 0.83 RAB9A (0.41) RAB9ASCN9AALDH1A1RXFP1POLB
SCHEMBL9829535 0.83 RAB9A (0.41) RAB9ASCN9AALDH1A1RXFP1POLB
SCHEMBL9829359 0.82 RAB9A (0.41) RAB9ASCN9AALDH1A1RXFP1POLB
Oxalic Acid SCHEMBL9829862 0.77 TP53 (0.41) RAB9ASCN9AALDH1A1RXFP1POLB
SCHEMBL9831340 0.74 EBP (0.45)
Hydrochloric Acid SCHEMBL9829644 0.73 HRH1 (0.41) RAB9A
Oxalic Acid SCHEMBL9831243 0.71 SMPD1 (0.47) ALDH1A1MAPTSMPD1
Oxalic Acid SCHEMBL9831824 0.71 SMPD1 (0.46) ALDH1A1MAPTSMPD1
SCHEMBL9832228 0.69 ADAMTS5 (0.32) RAB9AALDH1A1POLBCYP2C9CYP2C19
Oxalic Acid SCHEMBL9831327 0.69 CYP2D6 (0.45) CYP2C9CYP2C19MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed