SCHEMBL8210248

SCHEMBL8210248

O=C(O)[C@@H](NCC1CCNCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.41
CPN1 P15169 3/20 0.41
CPB2 Q96IY4 3/20 0.41
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
F2R P25116 2/20 0.36
EPHX2 P34913 1/20 0.35
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 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
SCHEMBL8202611 0.81 TPSAB1 (0.40) EPHX1ALOX15TSHRANPEPERAP2
SCHEMBL3774861 0.81 CYP2D6 (0.53) EPHX1ITGB3CYP2D6
SCHEMBL8201908 0.77 CPN1 (0.35) EPHX1CPN1CPB2ALOX15ITGB3
Hydrochloric Acid SCHEMBL3458692 0.77 EPHX1 (0.50) EPHX1CPN1CPB2ALOX15TSHR
Hydrochloric Acid SCHEMBL19712555 0.77 EPHX1 (0.50) EPHX1CPN1CPB2ALOX15TSHR
SCHEMBL8991906 0.73 ALDH1A1 (0.42) EPHX1ITGB3EPHX2
SCHEMBL21468160 0.73 SMN1; SMN2 (0.41) EPHX1TSHRITGB3
SCHEMBL27733842 0.73 SMN1; SMN2 (0.41) EPHX1TSHRITGB3
SCHEMBL1410684 0.73 SMN1; SMN2 (0.41) EPHX1TSHRITGB3
SCHEMBL3458110 0.73 KMT2A (0.46) EPHX1

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
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed