SCHEMBL23812243

SCHEMBL23812243

CC(C)(CCN1CCNCC1)N1CCN(CCC(C)(C)N2CCN(CCNCCN3CCN(CCN4CCNCC4)CC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RAD52 P43351 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
CXCR4 P61073 2/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL23812331 0.83 HSD17B10 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL21534157 0.81 SIGMAR1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20739323 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL19954996 0.80 POLB (0.37) SMN1; SMN2HSD17B10SIGMAR1POLBCXCR4
SCHEMBL845511 0.78 HSD17B10 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL24278279 0.78 MEN1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL22590607 0.78 HSD17B10 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20328752 0.78 SIGMAR1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL21534190 0.77 RAD52 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL29860764 0.76 HSD17B10 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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-3469012-B9 AUTOCATALYTIC POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2022-04-06 EP disclosed
EP-3469012-B1 AUTOCATALYTIC POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2021-09-15 EP disclosed