SCHEMBL11325754

SCHEMBL11325754

C=CCCCCCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ APP P05067 1/20 0.41
▸ MITF O75030 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ AOC3 Q16853 1/20 0.41

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
SCHEMBL9588954 0.93 ALDH1A1 (0.54) HRH3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL28779833 0.88 KDM4E (0.50) HRH3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12370731 0.87 ALDH1A1 (0.51) HRH3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL22248703 0.86 HRH3 (0.65) HRH3ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL15365357 0.86 ALDH1A1 (0.59) HRH3ALDH1A1L3MBTL1GAAMAOB
SCHEMBL8553182 0.84 L3MBTL1 (0.61) HRH3ALDH1A1L3MBTL1GAAMAOB
SCHEMBL22248702 0.84 HRH3 (0.62) HRH3ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12370712 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL19912060 0.83 ALDH1A1 (0.54) HRH3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12370736 0.81 ALDH1A1 (0.50) HRH3ALDH1A1L3MBTL1SMN1; SMN2KDM4E

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
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 — — US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 — — US disclosed
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