SCHEMBL23812331

SCHEMBL23812331

CC(C)C(CN1CCNCC1)N1CCN(CCNCCN2CCN(C(C)(C)CCN3CCN(C(C)(C)CCN4CCNCC4)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAD52 P43351 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL24278279 0.94 MEN1 (0.32) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL23812243 0.83 MEN1 (0.40) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL21534157 0.69 SIGMAR1 (0.38) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL20739323 0.69 MEN1 (0.48) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL19954996 0.68 POLB (0.37) HSD17B10SMN1; SMN2SIGMAR1
SCHEMBL845511 0.67 HSD17B10 (0.57) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL20328752 0.67 SIGMAR1 (0.51) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL21534190 0.66 RAD52 (0.37) HSD17B10SMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL29860764 0.66 HSD17B10 (0.55) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1
SCHEMBL19619099 0.65 HSD17B10 (0.47) HSD17B10ANPEPERAP2SMN1; SMN2ALDH1A1

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
EP-3469012-B1 AUTOCATALYTIC POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2021-09-15 EP disclosed