SCHEMBL9837601

SCHEMBL9837601

CCCOCC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.49
MITF O75030 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
NLRP1 Q9C000 1/20 0.49
TP53 P04637 2/20 0.47
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL31304908 0.85 CYP2C19 (0.46) LMNAHSD17B10SMN1; SMN2MITFMAPT
SCHEMBL20995945 0.83 KDM4E (0.51) LMNASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL20995910 0.81 MMP8 (0.48) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL20995947 0.81 KMT2A (0.50) LMNASMN1; SMN2MAPTRAB9AALDH1A1
Benzoin SCHEMBL1151761 0.80 LMNA (0.58) LMNAHSD17B10SMN1; SMN2MAPTALDH1A1
Benzoin SCHEMBL158692 0.79 LMNA (0.68) LMNAHSD17B10SMN1; SMN2MITFMAPT
SCHEMBL20995937 0.79 KDM4E (0.48) LMNAHSD17B10SMN1; SMN2RAB9ATP53
SCHEMBL6203195 0.78 LMNA (0.60) LMNAHSD17B10SMN1; SMN2MITFMAPT
SCHEMBL50454 0.78 LMNA (0.80) LMNAHSD17B10SMN1; SMN2MITFRAB9A
SCHEMBL20995895 0.78 NPC1 (0.51) LMNASMN1; SMN2RAB9ATP53ALDH1A1

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-0462150-A1 NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM. LAEVOSAN GMBH & CO KG (AT) 1991-12-27 EP disclosed
WO-1990010628-A1 NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM LAEVOSAN-GESELLSCHAFT MBH (AT) 1990-09-20 WO disclosed