SCHEMBL25669201

SCHEMBL25669201

CCCCOC(=O)[C@@H](CC(C)(C)C)[C@@H](C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.39
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
NAAA Q02083 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL24136103 0.86 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL28342758 0.82 NAAA (0.47) ALDH1A1ATMTSHRCA1CA2
SCHEMBL7456286 0.81 NAAA (0.43) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL14409974 0.80 NAAA (0.46) ALDH1A1TSHRCA1CA2HCAR2
SCHEMBL16182029 0.80 NAAA (0.46) ALDH1A1TSHRCA1CA2HCAR2
SCHEMBL30395659 0.78 ALDH1A1 (0.37) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL28719130 0.76 NAAA (0.42) ALDH1A1TSHRCA2HCAR2NAAA
SCHEMBL233234 0.76 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL9679728 0.75 ATM (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL22810807 0.75 GRM1 (0.35) ALDH1A1TSHRHCAR2LMNATDP1

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
EP-4202009-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND Kyushu University, National University Corporation (JP) 2023-06-28 EP disclosed