SCHEMBL21902158

SCHEMBL21902158

CC(C)CCCNC(=O)CCC=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CNR1 P21554 2/20 0.47
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
CASP2 P42575 1/20 0.39
TSHR P16473 1/20 0.38
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.37
NAAA Q02083 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16248615 0.83 ALDH1A1 (0.57) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL21675612 0.81 ALDH1A1 (0.52) ALDH1A1CNR1LMNAPKMHPGD
SCHEMBL23471810 0.81 ALDH1A1 (0.50) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL22048804 0.80 MEN1 (0.57) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL4904632 0.79 CASP2 (0.62) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL12834780 0.79 NAAA (0.58) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL27447587 0.79 CNR1 (0.57) CNR1MEN1KMT2ACASP2NAAA
SCHEMBL14049277 0.79 MEN1 (0.67) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL18313728 0.79 ALDH1A1 (0.52) ALDH1A1CNR1LMNAPKMMEN1
SCHEMBL24811342 0.79 ALDH1A1 (0.44) ALDH1A1CNR1LMNAPKMMEN1

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
US-10961338-B2 Bottlebrush polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-30 US disclosed
US-20200123297-A1 BOTTLEBRUSH POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-23 US disclosed