SCHEMBL24317410

SCHEMBL24317410

CCCN(CC)CCSC(=O)CCC(C)N(CCC)CCSc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
SLC2A1 P11166 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL17346285 0.72 ALDH1A1 (0.39) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL24316161 0.71 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP3A4SLC2A1
SCHEMBL7061665 0.69 SLC2A1 (0.56) MAPTCHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL11535429 0.68 SLC2A1 (0.55) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL27010006 0.67 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP3A4SLC2A1
SCHEMBL17345997 0.65 DRD2 (0.49) CHRM2CHRM1ALDH1A1KMT2APOLB
SCHEMBL17346203 0.65 DRD2 (0.46) ALDH1A1KMT2ACYP1A2CYP2D6CYP3A4
SCHEMBL11353930 0.64 HPGD (0.51) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL11588327 0.63 ALDH1A1 (0.49) ALDH1A1KMT2ACYP1A2CYP2D6LMNA
SCHEMBL4270846 0.63 KCNH2 (0.43) ALDH1A1SLC2A1MTNR1AMTNR1BFDPS

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed