SCHEMBL8623294

SCHEMBL8623294

Cc1ccccc1Oc1ccc(CCCI)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.49
LPAR5 Q9H1C0 6/20 0.49
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 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
SCHEMBL8625472 0.84 LPAR1 (0.52) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1
SCHEMBL27871822 0.83 LPAR1 (0.48) LPAR1LPAR5ALDH1A1MAPK14
SCHEMBL9673186 0.79 FFAR1 (0.55) FFAR1ALDH1A1HPGDTSHR
SCHEMBL7690257 0.78 ALDH1A1 (0.59) LPAR1LPAR5SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17521526 0.78 LPAR1 (0.51) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1
SCHEMBL9502693 0.76 TTR (0.50) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1
SCHEMBL507354 0.76 ST14 (0.52) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1
SCHEMBL1582083 0.76 LPAR1 (0.49) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1
SCHEMBL1746823 0.76 LTA4H (0.60) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1
SCHEMBL10817065 0.76 LPAR1 (0.49) LPAR1LPAR5FFAR1SMN1; SMN2ALDH1A1

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-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed