SCHEMBL16623287

SCHEMBL16623287

COc1cc(C)c2oc(CN=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
ELANE P08246 2/20 0.35
MAOB P27338 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HPGD P15428 4/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 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
SCHEMBL16623261 0.86 SLC22A12 (0.40) SLC22A12MAOBHPGDCYP3A4ALDH1A1
SCHEMBL22336290 0.80 SLC22A12 (0.36) SLC22A12
SCHEMBL15200324 0.79 SLC22A12 (0.43) SLC22A12ELANEMAOBHPGDCYP3A4
SCHEMBL22336151 0.78 CCR4 (0.38) SLC22A12ELANEKDM4ELMNA
SCHEMBL22336249 0.76 ALDH1A1 (0.36) SLC22A12HPGDCYP3A4ALDH1A1HSD17B10
SCHEMBL16623281 0.75 CYP2A6 (0.51) MAOBHPGDALDH1A1KDM4EGAA
SCHEMBL15200325 0.70 PIM1 (0.54) HPGDALDH1A1TDP1KDM4ELMNA
SCHEMBL9981201 0.69 CYP2A6 (0.56) HPGDCYP3A4ALDH1A1TDP1HSD17B10
SCHEMBL21224351 0.69 NPC1 (0.49) SLC22A12HPGDCYP3A4ALDH1A1TDP1
SCHEMBL21230516 0.69 HPGD (0.47) SLC22A12HPGDCYP3A4ALDH1A1TDP1

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
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed