SCHEMBL28569713

SCHEMBL28569713

CCCC(C(=O)O)c1ccc(C(=O)c2ccc(C)cc2)n1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.53
AKR1B1 P15121 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
GLO1 Q04760 1/20 0.53
HPGD P15428 1/20 0.48
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SRD5A2 P31213 2/20 0.39
POLB P06746 2/20 0.37
PSIP1 O75475 1/20 0.37
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7678367 0.89 HDAC10 (0.42) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7681166 0.89 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7680805 0.81 HDAC10 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL15641391 0.79 PTGS1 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL15641390 0.79 PTGS1 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL2739307 0.78 CXCL8 (0.59) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678196 0.77 CXCL8 (0.46) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7676873 0.77 HTT (0.44) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678514 0.77 CXCL8 (0.42) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL28851502 0.76 CXCL8 (0.53) CXCL8AKR1B1PTGS1PTGS2GLO1

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
CN-112661688-B Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2023-04-07 CN disclosed
CN-112661688-A Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2021-04-16 CN disclosed