SCHEMBL9340384

SCHEMBL9340384

CCC(C)(C)c1[c]ccc(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACHE P22303 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
GPR84 Q9NQS5 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6638430 0.84 TAAR1 (0.35) MAPTMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL4608928 0.81 CA1 (0.36) NPC1MAPTRAB9ACA12CA1
SCHEMBL7230309 0.78 ALDH1A1 (0.35) MAPTRAB9ACA12CA1CA2
SCHEMBL55370 0.76 NPC1 (0.40) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL160639 0.76 PGR (0.36) NPC1MAPTRAB9ACA12CA1
SCHEMBL6659198 0.74 ESR1 (0.34) ALDH1A1
SCHEMBL9356327 0.71
SCHEMBL457740 0.69 CA1 (0.35) MAPTCA12CA1CA2CA7
SCHEMBL15066961 0.68 ALDH1A1 (0.41) MAPTCA12CA1CA2CA7
SCHEMBL24071 0.67 NPC1 (0.34) NPC1RAB9A

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
EP-0280938-B1 Antioxidant aromatic fluorophosphites ETHYL CORP (US) 1994-06-15 EP disclosed