SCHEMBL28730004

SCHEMBL28730004

C[C@@](Cc1ccccc1)(Nc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
ENPEP Q07075 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL23137093 0.90 SMN1; SMN2 (0.48) MMP8SMN1; SMN2HIF1ACYP3A4ALDH1A1
SCHEMBL23137177 0.89 PPARG (0.50) MMP8SMN1; SMN2CYP3A4ALDH1A1CYP2C9
SCHEMBL23137158 0.89 MMP8 (0.44) MMP8SMN1; SMN2HIF1ACYP3A4ALDH1A1
SCHEMBL23135968 0.89 POLB (0.47) MMP8SMN1; SMN2CYP3A4ALDH1A1CYP2C9
SCHEMBL23137094 0.86 MTOR (0.45) HIF1ALMNAMAPT
SCHEMBL23137162 0.86 NPC1 (0.46) SMN1; SMN2CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL23135966 0.85 CA1 (0.50) SMN1; SMN2ALDH1A1LMNAPOLBMAPT
SCHEMBL23137178 0.82 HIF1A (0.53) SMN1; SMN2HIF1AALDH1A1POLBMAPT
SCHEMBL21302016 0.81 LMNA (0.57) MMP8SMN1; SMN2HIF1ACYP3A4ALDH1A1
SCHEMBL11495669 0.81 SMN1; SMN2 (0.50) MMP8SMN1; SMN2HIF1ACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302741-A Compositions and methods for treating autoimmune disorders 密执安大学评议会 2022-04-08 CN disclosed