SCHEMBL9288518

SCHEMBL9288518

CC(Oc1ccccc1Oc1cnc2ccccc2n1)C(=O)OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 9/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RHOA P61586 1/20 0.36

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
SCHEMBL9350301 0.81 MEN1 (0.50) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL8881786 0.79 KMT2A (0.57) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL5227754 0.72 MEN1 (0.50) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL11286363 0.71 TDP1 (0.50) CYP1A2LMNAMAPTCYP2C19L3MBTL1
SCHEMBL10848461 0.70 HTT (0.58) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL10882476 0.69 HTT (0.51) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL9288512 0.69 MEN1 (0.42) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL9444084 0.68 ALDH1A1 (0.53) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL10732452 0.68 ALDH1A1 (0.46) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL10885983 0.68 HTT (0.60) MEN1KMT2AHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5474973-A Heterocyclic-alkylene quinoxalinyloxyphenoxypropanoate herbicides UNIROYAL CHEMICAL COMPANY, INC. (US) 1995-12-12 — — US disclosed
US-5319102-A Pre-and postemergence UNIROYAL CHEMICAL COMPANY, INC. (US) 1994-06-07 — — US disclosed
EP-0323727-B1 HETEROCYCLIC-ALKYLENE QUINOXALINYLOXYPHENOXY PROPANOATE HERBICIDES UNIROYAL CHEM CO INC (US) 1993-09-01 — — EP disclosed
US-5120348-A Heterocyclic-alkylene quinoxalinyloxyphenoxypropanoate herbicides UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-06-09 — — US disclosed
EP-0323727-A2 Heterocyclic-alkylene quinoxalinyloxyphenoxy propanoate herbicides UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-07-12 — — EP disclosed
Send feedback