SCHEMBL11166803

SCHEMBL11166803

COc1cc(NC(C)=O)ccc1CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RORC P51449 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.45
BRAF P15056 1/20 0.45

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
SCHEMBL4176871 0.89 TDP1 (0.56) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL4771360 0.82 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL25142579 0.82 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL4979237 0.82 GABRA1 (0.49) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL377420 0.81 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2HTTNR1H4
SCHEMBL30492996 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL1851780 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL13183891 0.81 HTT (0.50) ALDH1A1TDP1SMN1; SMN2HTTNR1H4
SCHEMBL21483747 0.81 NPC1 (0.51) SMN1; SMN2LMNANR1H4POLBMAPT
SCHEMBL11164040 0.81 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA

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-0034752-B1 PHENOXYALKANE DERIVATIVE AND PROCESSES FOR PREPARING SAME Tanabe Seiyaku Co., Ltd. (JP) 1983-06-08 EP disclosed
EP-0034752-A1 Phenoxyalkane derivative and processes for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1981-09-02 EP disclosed