SCHEMBL10691520

SCHEMBL10691520

COC(=O)c1ccc(OC)c(Br)c1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 4/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10693494 0.86 MAPT (0.49) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL10690935 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL10542808 0.76 MAPT (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL22208785 0.76 LMNA (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL26660999 0.76 MAPT (0.50) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL7838547 0.75 TSHR (0.43) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL10693184 0.74 PDE4D (0.36) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL26089998 0.74 KDM4E (0.50) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL7842794 0.74 IRAK4 (0.45) ALDH1A1HPGDKDM4EPOLBMAPT
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBMAPTTDP1

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
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed