SCHEMBL9309967

SCHEMBL9309967

CC(C)(C)Oc1ccc(OCc2nnc(C3CC3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FABP1 P07148 1/20 0.33

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
SCHEMBL9311594 0.83 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL9310510 0.72 NPSR1 (0.40) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL9027319 0.71 ACACB (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9026773 0.71 RAB9A (0.37) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL9027326 0.71 KMT2A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9026778 0.71 MEN1 (0.35) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL9136381 0.70 MAOB (0.44) RAB9ASMN1; SMN2HSD17B10MAPK1KDM4E
SCHEMBL5617596 0.69 MAOB (0.67) KDM4EMAPT
Hydrochloric Acid SCHEMBL8626224 0.69 DGAT1 (0.39) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL7308829 0.69 MAOB (0.53) KDM4EMAPT

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-5374642-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
EP-0457023-B1 Hydroquinone di-ethers, their preparation and their use BASF AG (DE) 1994-07-13 EP disclosed
EP-0457023-A1 Hydroquinone di-ethers, their preparation and their use BASF Aktiengesellschaft (DE) 1991-11-21 EP disclosed