SCHEMBL25375978

SCHEMBL25375978

CCC(CO)(CO)CO.Cc1cccc(C2CC(=O)CC(=O)C2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
HTR2C P28335 3/20 0.39
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRM7 Q14831 1/20 0.33
MGLL Q99685 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25376749 0.89 TP53 (0.45) TP53RECQLHTR2CMAPTGAA
SCHEMBL25374981 0.87 TP53 (0.38) TP53RECQLMAPTGAAKMT2A
SCHEMBL25376601 0.86 TP53 (0.42) TP53RECQLHTR2CMAPTGAA
SCHEMBL25373270 0.85 LDHA (0.39) TP53RECQLMAPTGAAALDH1A1
SCHEMBL12676482 0.84 TP53 (0.53) TP53RECQLHTR2CMAPTGAA
SCHEMBL25374556 0.82 GRM7 (0.43) TP53RECQLMAPTGAAGRM7
SCHEMBL25373829 0.81 MTNR1A (0.44) TP53RECQLMAPTGAAALDH1A1
SCHEMBL25377013 0.80 TP53 (0.33) TP53RECQLMAPTGAA
SCHEMBL25375883 0.80 OPRL1 (0.39) TP53RECQLGRM7
SCHEMBL29008634 0.78 MAP1LC3B (0.45) TP53RECQLHTR2CMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399510-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-14 US disclosed
EP-4239010-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-06 EP disclosed
CN-116323753-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-06-23 CN disclosed