SCHEMBL11867337

SCHEMBL11867337

CC(=CCOc1ccc(C(C)(C)C)cc1)CCOC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NDUFS8 O00217 2/20 0.36
COXFA4 O00483 2/20 0.36
NDUFAB1 O14561 2/20 0.36
NDUFA1 O15239 2/20 0.36
NDUFS4 O43181 2/20 0.36
NDUFB5 O43674 2/20 0.36
NDUFB3 O43676 2/20 0.36
NDUFC1 O43677 2/20 0.36
NDUFA2 O43678 2/20 0.36
NDUFS5 O43920 2/20 0.36
NDUFS7 O75251 2/20 0.36
NDUFS2 O75306 2/20 0.36
NDUFS6 O75380 2/20 0.36

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
SCHEMBL11779425 0.82 LMNA (0.39) SMN1; SMN2POLBALDH1A1RXRARXRB
SCHEMBL11783538 0.81 MAOB (0.41) MAOBAOC3KDM4ENDUFS8COXFA4
SCHEMBL13483901 0.76 KMT2A (0.50) MAOBAOC3SMN1; SMN2MEN1KMT2A
SCHEMBL15253468 0.76 SMN1; SMN2 (0.51) MAOBAOC3SMN1; SMN2TRPV1KMT2A
SCHEMBL13290639 0.75 HRH3 (0.50) SMN1; SMN2MEN1KMT2AKDM4EPOLB
SCHEMBL11782570 0.74 KMT2A (0.50) MAOBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11782576 0.74 KMT2A (0.50) MAOBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL13636304 0.73 HRH3 (0.54) SMN1; SMN2MEN1KMT2AKDM4EPOLB
SCHEMBL13636305 0.73 HRH3 (0.54) SMN1; SMN2MEN1KMT2AKDM4EPOLB
SCHEMBL13636302 0.73 SMN1; SMN2 (0.40) MAOBAOC3SMN1; SMN2MEN1KMT2A

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
US-3968235-A Composition and method for combating insects with alkylenedioxyphenyl derivatives SANDOZ LTD. (CH) 1976-07-06 US disclosed