SCHEMBL7919255

SCHEMBL7919255

CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCSc2ccc(OCC(=O)O)cc2)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.42
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL7920364 0.91 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7919314 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTBXA2RGAAHSD17B10
SCHEMBL8437982 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7920711 0.81 FABP4 (0.50) ALDH1A1TSHRTBXA2RTBXAS1GAA
SCHEMBL7924070 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTBXA2RTBXAS1GAA
SCHEMBL7921068 0.77 TBXA2R (0.67) ALDH1A1TSHRTBXA2RTBXAS1GAA
SCHEMBL7918986 0.76 ALDH1A1 (0.62) ALDH1A1TSHRTBXA2RTBXAS1GAA
SCHEMBL7918922 0.76 ALDH1A1 (0.62) ALDH1A1TSHRTBXA2RTBXAS1GAA
SCHEMBL7924104 0.76 ALDH1A1 (0.58) ALDH1A1TSHRTBXA2RTBXAS1GAA
SCHEMBL7911845 0.74 GRIN1 (0.47) ALDH1A1TSHRTBXA2RTBXAS1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed