SCHEMBL20079532

SCHEMBL20079532

CC(C)CSC1CC(=O)N(C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 8/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.36
TSHR P16473 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 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
SCHEMBL14654994 0.89 ALDH1A1 (0.36) FOLH1ALDH1A1GAAMAPTNPC1
SCHEMBL24368314 0.83 ALDH1A1 (0.37) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL18119783 0.82 FOLH1 (0.51) FOLH1ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL23695819 0.81 ALDH1A1 (0.34) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL15910121 0.81 ALDH1A1 (0.46) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL17324231 0.81 ALDH1A1 (0.42) FOLH1ALDH1A1GAAMAPTNPC1
SCHEMBL18822933 0.80 ALDH1A1 (0.43) FOLH1ALDH1A1GAANPC1RAB9A
SCHEMBL10075279 0.79 MAPT (0.39) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL16327597 0.79 TSHR (0.48) FOLH1ALDH1A1GAARAB9ATSHR
SCHEMBL14296139 0.78 FOLH1 (0.34) FOLH1ALDH1A1GAATSHRHTT

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
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 WO disclosed
US-9950075-B2 Compositions and methods for delivering agents to the central nervous system THE UNIVERSITY OF MASSACHUSETTS (US) 2018-04-24 US disclosed