SCHEMBL11478579

SCHEMBL11478579

CCOC(=O)c1cc(=O)c2c(OCC(O)COc3ccc(C#N)cc3)cccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.59
LMNA P02545 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HIF1A Q16665 1/20 0.57
ADRB2 P07550 4/20 0.50
NMT2 O60551 3/20 0.50
ADRB1 P08588 3/20 0.50
ADRB3 P13945 3/20 0.50
NMT1 P30419 3/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC2A1 P11166 1/20 0.48
MAPK1 P28482 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL11831739 0.91 GPR35 (0.63) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11840196 0.90 GPR35 (0.62) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11845784 0.90 GPR35 (0.62) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11832146 0.90 GPR35 (0.62) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11837028 0.89 GPR35 (0.67) GPR35LMNATDP1KMT2AMEN1
SCHEMBL143979 0.89 GPR35 (0.72) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11838413 0.89 GPR35 (0.61) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11842167 0.89 GPR35 (0.61) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11842993 0.88 GPR35 (0.53) GPR35LMNATDP1KMT2AMEN1
SCHEMBL11348725 0.88 GPR35 (0.78) GPR35LMNATDP1KMT2AMEN1

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
US-4238495-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS MILES LABORATORIES, INC. (US) 1980-12-09 US disclosed
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 US disclosed