SCHEMBL31099062

SCHEMBL31099062

COc1cc(C(C)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.40
ALDH1A1 P00352 4/20 0.38
PTPN1 P18031 2/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL24853905 1.00 MEN1 (0.40) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL31207261 0.93 POLB (0.39) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL31099092 0.93 POLB (0.39) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL30318808 0.83 CNR2 (0.40) MEN1KMT2APOLBPABPC1RAB9A
SCHEMBL24094506 0.83 CNR2 (0.40) MEN1KMT2APOLBPABPC1RAB9A
SCHEMBL29002106 0.82 GPBAR1 (0.37) MEN1KMT2APOLB
SCHEMBL24853925 0.76 KMT2A (0.41) MEN1KMT2APABPC1ALDH1A1CXCR1
SCHEMBL19546165 0.73 ALDH1A1 (0.47) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL30318801 0.73 NNMT (0.38) MEN1KMT2APOLBPABPC1NPC1
SCHEMBL31207282 0.72 NNMT (0.37) MEN1KMT2APOLBPABPC1ALDH1A1

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-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed