SCHEMBL9958244

SCHEMBL9958244

CCCCOCCOCc1cc2c(cc1CCC)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
ALDH1A1 P00352 4/20 1.00
TSHR P16473 1/20 1.00
HPGD P15428 2/20 0.45
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HTT P42858 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35

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
Piperonyl Butoxide SCHEMBL6561910 1.00 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL1517385 1.00 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL29386186 1.00 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL5490 1.00 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL11895771 0.98 CYP3A4 (0.97) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL16105717 0.98 CYP3A4 (0.97) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL4809313 0.98 CYP3A4 (0.97) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL1925871 0.98 CYP3A4 (0.97) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL104661 0.98 CYP3A4 (0.97) CYP3A4ALDH1A1TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL317347 0.98 CYP3A4 (0.97) CYP3A4ALDH1A1TSHRHPGDMEN1

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-2467020-B1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA SPA (IT) 2014-09-24 EP disclosed
EP-2467020-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS Endura S.p.a. (IT) 2012-06-27 EP disclosed