SCHEMBL7512641

SCHEMBL7512641

COC(=O)Oc1cc(O)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 2/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 3/20 0.33
CUL4A Q13619 2/20 0.31
TP53 P04637 2/20 0.31
GLA P06280 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL27518511 0.81 LMNA (0.36) CYP1A2KDM4EMAPTHSD17B10SAE1
SCHEMBL7097302 0.75 LMNA (0.36) CYP1A2MAPTALDH1A1GAANPC1
SCHEMBL7510038 0.73 SMPD1 (0.46) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL444734 0.69 MAPT (0.42) CYP1A2KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL1439154 0.67 HSD17B10 (0.42) CYP1A2KDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL30834651 0.67 KMT2A (0.37) CYP1A2KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL20294973 0.67 KMT2A (0.37) CYP1A2KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL9844093 0.67 TMPRSS15 (0.47) CYP1A2MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL4698064 0.64 L3MBTL1 (0.42) CYP1A2KDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL7895429 0.64 L3MBTL1 (0.47) CYP1A2KDM4EMAPTHSD17B10SAE1

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
EP-1214316-A1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-06-19 EP disclosed
WO-2001016131-A2 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD (CH) 2001-03-08 WO disclosed