SCHEMBL8983582

SCHEMBL8983582

CC(C)(C)c1ccc(Oc2cccc(CBr)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR4A1 P22736 1/20 0.40

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
SCHEMBL10540485 0.92 FAAH (0.47) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL16316303 0.85 FDFT1 (0.50) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL4178681 0.84 ALDH1A1 (0.51) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL13802648 0.84 FAAH (0.49) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL4178678 0.84 FDFT1 (0.49) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL4150833 0.81 FFAR1 (0.50) ALDH1A1MAPTFAAHPOLBTSHR
SCHEMBL4166427 0.81 ALDH1A1 (0.60) ALDH1A1MAPTTSHRHSD17B10KDM4E
SCHEMBL13719346 0.81 FDFT1 (0.50) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL202774 0.81 ALDH1A1 (0.54) FDFT1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL14093082 0.80 ALDH1A1 (0.49) FDFT1ALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561143-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 — — US disclosed
US-5534532-A ANTICHOLESTEROL AGENTS, SQUALENE SYNTHASE INHIBITOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-07-09 — — US disclosed
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 — — US disclosed
US-5455260-A Anticholesterol agents; reduction of serum cholesterol without reducing mevalonic metabolite synthesis; side effect RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-03 — — US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 — — US disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 — — WO disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 — — WO disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 — — US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 — — US disclosed
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