SCHEMBL11638544

SCHEMBL11638544

O=C(O)c1cc(=O)c2cc3c(=O)cc(C(=O)O)[nH]c3c(C(=O)O)c2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.71
KDM4E B2RXH2 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL11638708 0.83 GPR35 (0.69) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11641819 0.83 GPR35 (1.00) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11640479 0.83 GPR35 (0.69) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11641823 0.79 GPR35 (0.63) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11643204 0.79 GPR35 (0.68) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11810085 0.78 GPR35 (0.70) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11718229 0.77 GPR35 (0.60) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11643685 0.76 GPR35 (0.65) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11883433 0.75 GPR35 (0.61) GPR35KDM4ETDP1HPGDMEN1
SCHEMBL11641173 0.73 GPR35 (0.77) GPR35KDM4ETDP1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US claimed
US-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4064248-A TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1977-12-20 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US disclosed