SCHEMBL11831739

SCHEMBL11831739

CCOC(=O)c1cc(=O)c2c(OCC(O)COc3ccc(CC)cc3)cccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.63
LMNA P02545 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HIF1A Q16665 1/20 0.61
ADRB2 P07550 4/20 0.51
NMT2 O60551 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
NMT1 P30419 3/20 0.51
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC2A1 P11166 1/20 0.45
MAPK1 P28482 1/20 0.44
AKR1B1 P15121 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
SCHEMBL11840196 0.93 GPR35 (0.62) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11845784 0.93 GPR35 (0.62) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11832146 0.93 GPR35 (0.62) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11837028 0.93 GPR35 (0.67) GPR35LMNATDP1MEN1KMT2A
SCHEMBL143979 0.93 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11838413 0.92 GPR35 (0.61) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11842167 0.92 GPR35 (0.61) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11842136 0.91 GPR35 (0.59) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11478579 0.91 GPR35 (0.59) GPR35LMNATDP1MEN1KMT2A
SCHEMBL115489 0.89 GPR35 (0.60) GPR35LMNATDP1MEN1KMT2A

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-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 US disclosed