SCHEMBL28625433

SCHEMBL28625433

CCCCC1(C(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CETP P11597 1/20 0.32
SOAT1 P35610 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27902585 0.96 MMP2 (0.35) CES2CES1SOAT1POLBEPHX1
SCHEMBL10440677 0.95 MMP2 (0.37) CES2CES1SOAT1OPRM1OPRD1
SCHEMBL4183422 0.95 MMP2 (0.37) CES2CES1SOAT1OPRM1OPRD1
SCHEMBL4184929 0.95 MMP2 (0.37) CES2CES1SOAT1OPRM1OPRD1
SCHEMBL4181879 0.95 MMP2 (0.37) CES2CES1SOAT1OPRM1OPRD1
SCHEMBL9746020 0.95 MMP2 (0.37) CES2CES1SOAT1OPRM1OPRD1
Hydrochloric Acid SCHEMBL9852429 0.94 MMP2 (0.36) CES2CES1SOAT1OPRM1OPRD1
SCHEMBL7510602 0.92 SMN1; SMN2 (0.33) HPGDKDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27724005 0.91 HPGD (0.32) HPGDGAAHDAC3HDAC1HDAC2
SCHEMBL2157193 0.86 SMN1; SMN2 (0.33) HPGDKDM4ESMN1; SMN2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
CN-109219596-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-19 CN disclosed
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed