SCHEMBL7970093

SCHEMBL7970093

COc1ccc2c(c1OC)C(Cc1ccccc1)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4C Q9H3R0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP5 Q01469 1/20 0.38
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL7980288 0.86 KCNH2 (0.47) KCNH2MAPTALDH1A1HSD17B10KDM4C
SCHEMBL7983806 0.77 PDE10A (0.40) MAPTALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL1818592 0.74 RAB9A (0.43) MAPTALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL3918548 0.73 HTR2A (0.54) MAPTALDH1A1HSD17B10MEN1HPGD
Hydrochloric Acid SCHEMBL1819160 0.72 NPC1 (0.42) MAPTALDH1A1HSD17B10SMN1; SMN2NPC1
Bromide SCHEMBL1822835 0.72 NPC1 (0.42) MAPTALDH1A1HSD17B10SMN1; SMN2NPC1
Fluoride Ion SCHEMBL1819483 0.72 NPC1 (0.42) MAPTALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL30779227 0.70 HTR2A (0.40) MAPTALDH1A1HSD17B10MEN1HPGD
Ammonia Solution, Strong SCHEMBL27746302 0.70 HTR2A (0.37) MAPT
SCHEMBL27897683 0.69 LTA4H (0.48) MAPTSMN1; SMN2NPC1RAB9AMEN1

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-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed