SCHEMBL8740273

SCHEMBL8740273

O=C(O)CCC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
EPHX1 P07099 3/20 0.43
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NLRP1 Q9C000 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
EPHX2 P34913 2/20 0.41
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL20162183 0.98 ALDH1A1 (0.46) ALDH1A1EPHX1LMNAMEN1TP53
SCHEMBL20162171 0.98 ALDH1A1 (0.46) ALDH1A1EPHX1LMNAMEN1TP53
SCHEMBL20162173 0.98 ALDH1A1 (0.46) ALDH1A1EPHX1LMNAMEN1TP53
SCHEMBL9176186 0.89 TET2 (0.42) LMNAMAPTCYP2D6CYP1A2TET2
SCHEMBL27880794 0.84 EPHX1 (0.44) ALDH1A1EPHX1LMNAMEN1TP53
SCHEMBL28468787 0.83 ALDH1A1 (0.55) ALDH1A1EPHX1LMNASMN1; SMN2EPHX2
SCHEMBL7364580 0.82 ALDH1A1 (0.38) ALDH1A1EPHX1LMNAMEN1TP53
SCHEMBL28572076 0.79 ALDH1A1 (0.44) ALDH1A1EPHX1LMNASMN1; SMN2EPHX2
SCHEMBL9294593 0.79 ALDH1A1 (0.47) ALDH1A1EPHX1LMNAMEN1KMT2A
SCHEMBL1226217 0.79 ALDH1A1 (0.44) ALDH1A1EPHX1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639775-A COGNITION ACTIVATORS THE UNIVERSITY OF TOLEDO (US) 1997-06-17 US disclosed
US-5486526-A APPETITE SUPPRESSANTS THE UNIVERSITY OF TOLEDO (US) 1996-01-23 US disclosed
WO-1995011894-A1 HISTAMINE H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1995-05-04 WO disclosed
EP-0633882-A1 4- 4'-PIPERIDINYL OR 3'-PIRROLIDINYL] SUBSTITUTED IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1995-01-18 EP disclosed
WO-1993020061-A1 4-[4'-PIPERIDINYL OR 3'-PIRROLIDINYL] SUBSTITUTED IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1993-10-14 WO disclosed