SCHEMBL2591111

SCHEMBL2591111

O=Cc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.59
HNF4A P41235 2/20 0.59
BCL2L1 Q07817 1/20 0.56
BAD Q92934 1/20 0.56
DHFR P00374 1/20 0.55
MCL1 Q07820 1/20 0.55
ERN1 O75460 4/20 0.53
DCLRE1A Q6PJP8 1/20 0.53
DCLRE1B Q9H816 1/20 0.53
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ACLY P53396 2/20 0.46
PTPN1 P18031 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL21157447 0.86 MCL1 (0.57) ACMSDHNF4ABCL2L1BADMCL1
SCHEMBL9973581 0.85 ACMSD (0.59) ACMSDHNF4ADHFRMCL1ERN1
SCHEMBL92217 0.82 NR4A2 (0.51) ACMSDHNF4ABCL2L1BADDHFR
SCHEMBL2255019 0.81 BCL2L1 (0.72) ACMSDHNF4ABCL2L1BADDHFR
SCHEMBL2255015 0.81 BCL2L1 (0.72) ACMSDHNF4ABCL2L1BADDHFR
SCHEMBL25741026 0.80 ERN1 (0.54) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL1709589 0.79 TYMS (0.44) ACMSDHNF4ABCL2L1BADDHFR
SCHEMBL28926892 0.79 ERN1 (0.53) ACMSDHNF4ADHFRMCL1ERN1
SCHEMBL12991957 0.78 ERN1 (0.53) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL68982 0.78 ACMSD (0.70) ACMSDHNF4ADHFRMCL1DCLRE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978740-B Solid-phase renewable silicone rubber and preparation method and application thereof 广东工业大学 2022-05-20 CN claimed
CN-113403635-B Method for preparing N-substituted pyrrolidone derivative 五邑大学 2022-05-03 CN claimed
CN-111978740-A Solid-phase renewable silicone rubber and preparation method and application thereof 广东工业大学 2020-11-24 CN claimed
CN-111978740-B Solid-phase renewable silicone rubber and preparation method and application thereof 广东工业大学 2022-05-20 CN disclosed
CN-113403635-B Method for preparing N-substituted pyrrolidone derivative 五邑大学 2022-05-03 CN disclosed
CN-113403635-A Method for preparing N-substituted pyrrolidone derivative 五邑大学 2021-09-17 CN disclosed
CN-111978740-A Solid-phase renewable silicone rubber and preparation method and application thereof 广东工业大学 2020-11-24 CN disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US disclosed