SCHEMBL28474342

SCHEMBL28474342

CCCCCc1cccc(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.70
PPARA Q07869 3/20 0.67
PPARG P37231 2/20 0.64
BID P55957 4/20 0.57
MCL1 Q07820 4/20 0.57
KAT8 Q9H7Z6 3/20 0.57
BCL2L1 Q07817 3/20 0.57
BAK1 Q16611 3/20 0.57
EP300 Q09472 2/20 0.57
KAT5 Q92993 2/20 0.57
SAE1 Q9UBE0 2/20 0.57
KAT2A Q92830 1/20 0.57
KAT2B Q92831 1/20 0.57
PTGER1 P34995 2/20 0.54
PTGER4 P35408 2/20 0.54
PTGER3 P43115 2/20 0.54
PTGER2 P43116 2/20 0.54
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
F7 P08709 1/20 0.50

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
SCHEMBL28665897 0.88 PPARA (0.58) FOLH1PPARAPPARGBIDMCL1
SCHEMBL29632995 0.87 PPARA (0.54) FOLH1PPARAPPARGBIDMCL1
SCHEMBL28665892 0.87 PPARA (0.54) FOLH1PPARAPPARGBIDMCL1
SCHEMBL2942131 0.85 PPARA (0.77) FOLH1PPARAPPARGBIDMCL1
SCHEMBL2948111 0.84 PPARA (0.75) PPARAPPARGBIDMCL1KAT8
SCHEMBL22860844 0.84 PPARA (0.50) FOLH1PPARAPPARGBIDMCL1
SCHEMBL4379752 0.82 FOLH1 (1.00) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL28476408 0.82 ALOX5 (0.64) FOLH1PPARAPPARGPTGER1PTGER4
SCHEMBL10956404 0.82 HTR1A (0.65) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL28375679 0.82 HTR1A (0.65) PTGER1PTGER4PTGER3PTGER2MAPT

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-111819170-B Methods for synthesizing pulmonary clothing acids and analogs thereof 韩国海洋研究院 2023-12-29 CN disclosed
CN-111819170-A Method for synthesizing pneumocandic acid and analogues thereof 韩国海洋研究院 2020-10-23 CN disclosed