SCHEMBL8064733

SCHEMBL8064733

CCCC(C)C(C)(C)c1ccc(Oc2ccc(C(C)(C)C(C)CCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
LTA4H P09960 7/20 0.35
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
GRIA4 P48058 1/20 0.31

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
SCHEMBL29219083 0.87 TAS1R3 (0.44) MAPTALDH1A1MAPK1LMNATAS1R3
SCHEMBL8064735 0.79 ESR1 (0.47) ALDH1A1HPGDLMNA
SCHEMBL29175992 0.78 ALDH1A1 (0.35) RAB9AMAPTALDH1A1HPGDMAPK1
Hydrogen Peroxide SCHEMBL9456643 0.77 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL29136222 0.69 ESR1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL10699158 0.68 CYP3A4 (0.50) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6057016 0.68 POLB (0.38) MAPTALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL128091 0.67 NPC1 (0.81) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL5495193 0.67 SMN1; SMN2 (0.53) ALDH1A1MAPK1POLBLMNASMN1; SMN2
SCHEMBL11795050 0.67 ESR1 (0.47) ALDH1A1HPGDLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005514-A1 LIQUID CURABLE RESIN COMPOSITION DSM N.V. (NL) 2000-06-07 EP disclosed
WO-1999010443-A1 LIQUID CURABLE RESIN COMPOSITION DSM N.V. (NL) 1999-03-04 WO disclosed