SCHEMBL9604754

SCHEMBL9604754

C=CCOCc1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 2/20 0.49
STAT3 P40763 1/20 0.49
ATM Q13315 1/20 0.49
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
KDM1A O60341 1/20 0.38
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MITF O75030 1/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL8649755 0.81 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL709135 0.81 ESR1 (0.42) MGAMGAASIMGAM2
SCHEMBL10615812 0.80 RAB9A (0.56) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9618725 0.79 GAA (0.44) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7307672 0.79 IDO1 (0.46) TP53L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9618499 0.76 MAPT (0.46) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9580386 0.76 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9278177 0.75 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL472164 0.73 ESR1 (0.50) TP53KDM4EALDH1A1HPGDMGAM
SCHEMBL4778780 0.71 TSHR (0.42) SMN1; SMN2TP53L3MBTL1ALDH1A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5331143-A None JP disclosed
JP-H05331143-A NEW BENZOIC ACID ESTER COMPOUND AND LIQUID CRYSTAL COMPOUND CONTAINING THE SAME JAPAN ENERGY CORP 1993-12-14 JP disclosed