SCHEMBL11643204

SCHEMBL11643204

COc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.68
KDM4E B2RXH2 5/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.50
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
NGFR P08138 2/20 0.47
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11721616 0.85 GLA (0.61) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL11641819 0.81 GPR35 (1.00) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL11638544 0.79 GPR35 (0.71) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL4990158 0.78 GPR35 (0.56) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL11638708 0.77 GPR35 (0.69) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL11640479 0.77 GPR35 (0.69) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL3335123 0.75 KDM4E (0.67) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL30054313 0.75 GAA (0.77) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL11641823 0.73 GPR35 (0.63) GPR35KDM4EHPGDALDH1A1LMNA
SCHEMBL11810085 0.73 GPR35 (0.70) GPR35KDM4EHPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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