SCHEMBL11639677

SCHEMBL11639677

O=C(O)c1ccc2cc3ccc(C(=O)O)nc3cc2n1.OCC(CO)(CO)NC(CO)(CO)CO.OCC(CO)(CO)NC(CO)(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ TNNI3 P19429 1/20 0.35
▸ TNNT2 P45379 1/20 0.35
▸ TNNC1 P63316 1/20 0.35
▸ RUNX1 Q01196 1/20 0.35
▸ CBFB Q13951 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL9220609 0.83 MGAM (0.61) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL12405037 0.77 MGAM (0.63) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL12501532 0.73 MGAM (0.69) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL14806709 0.71 KMT2A (0.60) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL9319235 0.71 MGAM (0.55) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL23722355 0.69 MGAM (0.58) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL2715968 0.69 MGAM (0.53) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL20772073 0.69 MGAM (0.53) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL950437 0.67 MGAM (0.60) MGAMKDM4EALOX15TSHRACMSD
SCHEMBL28278979 0.67 MGAM (0.60) MGAMKDM4EALOX15TSHRACMSD

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
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