SCHEMBL8507477

SCHEMBL8507477

COc1cc(C(=O)CCCCl)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.49
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL9284598 0.90 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL14495122 0.86 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL9828028 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7835759 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL10789717 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL6628602 0.83 POLB (0.61) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5841291 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7834034 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL8349871 0.82 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5665005 0.82 CTNNB1 (0.65) MEN1KMT2AALDH1A1MAPK1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784619-B1 PHENYL-OXO-ALKYL-(4-PIPERIDINYL)BENZOATE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-03-24 EP disclosed
US-5872131-A Phenyl-oxo-alkyl-(4-piperidinyl)benzoate derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1999-02-16 US disclosed
US-4841047-A ANTIALLERGENS AASTA PHARMA AG (DE) 1989-06-20 US disclosed
EP-0222191-A1 4-Benzyl-1-2(H)-phthalazinone derivatives ASTA Pharma AG (DE) 1987-05-20 EP disclosed