SCHEMBL7657622

SCHEMBL7657622

CC(=O)Oc1coc2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PTPN1 P18031 1/20 0.44
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 4/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL14108207 0.83 LMNA (0.49) LMNASMN1; SMN2NPC1POLBMAPT
SCHEMBL3044852 0.81 ALDH1A1 (0.56) LMNASMN1; SMN2HTTNPC1POLB
SCHEMBL4812933 0.81 SMN1; SMN2 (0.45) LMNASMN1; SMN2HTTNPC1POLB
SCHEMBL31493863 0.81 ABCB11 (0.48) LMNASMN1; SMN2HTTNPC1POLB
SCHEMBL28731757 0.81 ABCB11 (0.48) LMNASMN1; SMN2HTTNPC1POLB
SCHEMBL5761877 0.77 TSHR (0.50) LMNASMN1; SMN2HTTNPC1POLB
Ammonia Solution, Strong SCHEMBL5763481 0.76 TSHR (0.49) LMNASMN1; SMN2HTTNPC1POLB
SCHEMBL28442399 0.75 KDM4E (0.48) LMNASMN1; SMN2HTTNPC1POLB
SCHEMBL437186 0.73 KMT2A (0.51) LMNASMN1; SMN2NPC1POLBKDM4E
SCHEMBL12099914 0.73 MAPT (0.51) LMNASMN1; SMN2NPC1POLBKDM4E

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
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 US disclosed