SCHEMBL8646704

SCHEMBL8646704

CC(C)(C)OC(=O)COc1cccc(-c2cccc(S)c2-c2cccc(OCC(=O)OC(C)(C)C)c2)c1.O=S(=O)(O)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
OPRK1 P41145 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
CTSK P43235 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8319591 0.90 PTPN1 (0.45) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8318362 0.89 PTPN1 (0.47) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8648388 0.87 PTGS2 (0.37) AKR1C4AKR1C3AKR1C2AKR1C1PTGS2
SCHEMBL8644654 0.86 PTPN1 (0.41) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8645387 0.85 AKR1C3 (0.38) AKR1C4AKR1C3AKR1C2AKR1C1PTGS2
Trifluoromethanesulfonic Acid SCHEMBL8862142 0.79 PTPN1 (0.47) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8319098 0.78 PTPN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8643865 0.77 ELANE (0.41) PTPN1
SCHEMBL8323322 0.76 PTPN1 (0.51) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8651634 0.74 PPARG (0.36) CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed