SCHEMBL31320985

SCHEMBL31320985

CC(C)(C)OC(=O)N(c1cccc(Br)c1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
GLA P06280 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
SCHEMBL28276942 0.86 CTSB (0.37) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL5229823 0.86 CTSB (0.37) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL2174292 0.80 AAK1 (0.36) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL2171679 0.80 AAK1 (0.38) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL2171768 0.77 AAK1 (0.39) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL67115 0.76 BRD4 (0.51) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL30013638 0.76 BRD4 (0.51) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL29420502 0.75 SMN1; SMN2 (0.38) CTSKMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL31037441 0.75 AAK1 (0.41) CTSBCTSSCTSKSMN1; SMN2AAK1
SCHEMBL2175059 0.75 AAK1 (0.37) CTSBCTSSCTSKMTNR1AMTNR1B

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
CN-113631168-B GPR35 modulators 普罗米修斯生物科学公司 2024-11-19 CN disclosed