SCHEMBL22790807

SCHEMBL22790807

CCN1CCN(Cc2ccc(COC)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
NPC1 O15118 6/20 0.62
TP53 P04637 4/20 0.62
KDM4E B2RXH2 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TSHR P16473 1/20 0.57
RAB9A P51151 5/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 2/20 0.50
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL26317521 0.92 SIGMAR1 (0.56) ALDH1A1NPC1TP53KDM4ESMN1; SMN2
SCHEMBL21587353 0.85 LMNA (0.62) ALDH1A1NPC1TP53KDM4ERAB9A
SCHEMBL21587322 0.85 HRH3 (0.65) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL24607222 0.84 ALDH1A1 (0.62) ALDH1A1NPC1TP53KDM4ESMN1; SMN2
SCHEMBL27668385 0.84 ALDH1A1 (0.62) ALDH1A1NPC1TP53KDM4ESMN1; SMN2
SCHEMBL31010106 0.83 HRH3 (0.69) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL18234102 0.81 SIGMAR1 (0.74) ALDH1A1NPC1TP53KDM4ESMN1; SMN2
SCHEMBL23945808 0.81 SIGMAR1 (0.46) ALDH1A1NPC1TP53KDM4ESMN1; SMN2
SCHEMBL23696647 0.81 ALDH1A1 (0.59) ALDH1A1NPC1TP53KDM4ESMN1; SMN2
SCHEMBL8254073 0.80 ALDH1A1 (0.74) ALDH1A1NPC1TP53KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2022125800-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021119159-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-17 WO disclosed
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed