SCHEMBL9328832

SCHEMBL9328832

CCOC(Cn1nc(CC(=O)OC)c2ccccc2c1=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.46
SLC6A4 P31645 5/20 0.45
GAA P10253 1/20 0.45
AKT1 P31749 1/20 0.45
CNKSR1 Q969H4 1/20 0.45
POLB P06746 1/20 0.44
AKR1B1 P15121 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL23914630 0.82 RECQL (0.55) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL9529811 0.81 RECQL (0.62) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23914631 0.80 RECQL (0.60) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23966572 0.77 RECQL (0.57) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23914889 0.76 RECQL (0.56) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23915394 0.76 RECQL (0.56) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23909042 0.75 TSHR (0.55) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23915614 0.74 GPR39 (0.62) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5014224 0.74 RECQL (0.83) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23914729 0.74 RECQL (0.53) RECQLALDH1A1MAPTSMN1; SMN2L3MBTL1

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
US-5304557-A Aldose reductase inhibitor PFIZER INC. (US) 1994-04-19 US disclosed
EP-0436307-A1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1991-07-10 EP disclosed
WO-1991009019-A1 SUBSTITUTED OXOPHTHALAZINYL ACETIC ACIDS AND ANALOGS THEREOF PFIZER INC. (US) 1991-06-27 WO disclosed