SCHEMBL24840897

SCHEMBL24840897

c1ccc(C23OO[C@](c4ccccc4)(O2)c2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
NPSR1 Q6W5P4 4/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
RECQL P46063 1/20 0.33
AKR1C1 Q04828 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL24794778 1.00 CFTR (0.38) CFTRGOPCNPSR1GAACYP2C9
SCHEMBL19003667 1.00 CFTR (0.38) CFTRGOPCNPSR1GAACYP2C9
SCHEMBL19003668 1.00 CFTR (0.38) CFTRGOPCNPSR1GAACYP2C9
SCHEMBL9488195 0.81 OPRM1 (0.36) CFTRGOPCOPRM1OPRK1OPRL1
SCHEMBL1698175 0.81 CA1 (0.37) CFTRGOPCOPRM1OPRK1OPRL1
SCHEMBL6627945 0.73 NPSR1 (0.32) CFTRGOPCNPSR1GAACYP2C9
Bicarbonate SCHEMBL9350627 0.72 AKR1C1 (0.41) LMNAAKR1C1CYP1A2HTTOPRM1
SCHEMBL4143463 0.69 CFTR (0.50) CFTRGOPCNPSR1GAACYP2C9
SCHEMBL30463421 0.69 CFTR (0.50) CFTRGOPCNPSR1GAACYP2C9
SCHEMBL7915738 0.69 CFTR (0.50) CFTRGOPCNPSR1GAACYP2C9

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
WO-2023276966-A1 PHARMACEUTICAL COMPOSITION CONTAINING FULLERENE INCLUDING METAL IONS 国立大学法人大阪大学 2023-01-05 WO disclosed