SCHEMBL9872046

SCHEMBL9872046

COC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.55
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.51
ENPP2 Q13822 3/20 0.50
ROCK2 O75116 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL22808210 0.87 SMN1; SMN2 (0.63) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL7321919 0.84 EGFR (0.57) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL27943694 0.84 MGLL (0.56) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL8328458 0.82 MEN1 (0.64) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL3038608 0.82 MGLL (0.58) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL5864056 0.82 MGLL (0.52) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL14183670 0.81 POLB (0.67) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL11694836 0.81 TP53 (0.57) MGLLTP53MAPTSMN1; SMN2NPC1
SCHEMBL9872943 0.80 POLB (0.71) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7595080 0.79 MGLL (0.49) MGLLTP53MAPTSMN1; SMN2NPC1

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-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed