SCHEMBL9467652

SCHEMBL9467652

CC(=O)Oc1cc(I)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
FFAR1 O14842 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
APP P05067 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
ATM Q13315 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 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
SCHEMBL4363943 0.84 MAOB (0.57) PTPN1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL22116364 0.84 PTPN1 (0.60) PTPN1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL1115032 0.83 PTPN1 (0.61) PTPN1SMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL31375355 0.83 APP (0.56) FFAR1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL11647126 0.83 APP (0.56) FFAR1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL7291245 0.83 RAB9A (0.67) PTPN1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6630996 0.83 PTGER1 (0.56) PTPN1CYP2C9MRGPRX4
Acetic Acid SCHEMBL9467662 0.81 APP (0.56) PTPN1FFAR1SMN1; SMN2NPC1HPGD
SCHEMBL16624239 0.81 MAOB (0.61) FFAR1SMN1; SMN2APPMAPTCYP2C9
SCHEMBL6324586 0.81 ALDH1A1 (0.57) PTPN1SMN1; SMN2NPC1HPGDRAB9A

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-5260294-A Treatment of diseases caused by oxidative metabolism of arachidonic acid; antiinflammatory, antiallergins, antiarthriric HOFFMAN-LA ROCHE INC. (US) 1993-11-09 US disclosed
US-5132310-A Benzochroman compounds, lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1992-07-21 US disclosed
US-5015661-A Lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-05-14 US disclosed