SCHEMBL11640418

SCHEMBL11640418

NC(C(O)(O)O)C(O)(O)O.O=C(O)c1cc(=O)c2cc3c(=O)cc(C(=O)O)[nH]c3cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.54
GPR35 Q9HC97 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 3/20 0.50
GRIN1 Q05586 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C9 P11712 2/20 0.50
BLM P54132 2/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL11643685 0.85 GPR35 (0.65) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL11719383 0.81 GPR35 (0.75) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL11640408 0.79 GPR35 (0.50) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL11640415 0.79 GPR35 (0.50) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL11640411 0.75 GPR35 (0.49) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL9321122 0.74 GPR35 (0.59) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL10822291 0.72 NGFR (0.52) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL8049608 0.70 NGFR (0.77) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL4516516 0.70 KDM4E (0.50) NGFRGPR35KDM4EMEN1HPGD
SCHEMBL11698420 0.69 NGFR (0.71) NGFRGPR35KDM4EMEN1HPGD

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-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US disclosed