SCHEMBL7089844

SCHEMBL7089844

CCCCCOc1cnc(-c2ccc(O)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.62
LTA4H P09960 3/20 0.58
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RARB P10826 4/20 0.48
ALDH1A1 P00352 2/20 0.47
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8387949 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6976554 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL10346198 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7061013 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6534793 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6980107 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7865004 0.97 NR5A1 (0.63) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL8436081 0.97 NR5A1 (0.63) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL8748572 0.89 NPC1 (0.50) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL9128951 0.88 NPC1 (0.73) NR5A1LTA4HRAB9ANPC1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868501-B1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING & MFG (US) 2003-08-13 EP disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
EP-0868501-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-07 EP disclosed
US-5658491-A CONTROLLING BRIGHTNESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US disclosed
WO-1997013822-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-17 WO disclosed