SCHEMBL10351261

SCHEMBL10351261

O=C(CN1CC(OCc2ccccc2)=CC1=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL10487966 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL10581367 0.88 NPSR1 (0.46) ALDH1A1MAPK1L3MBTL1HTTCYP1A2
SCHEMBL10484199 0.88 KMT2A (0.46) HTTCYP2C9CYP2C19KMT2APTPN1
SCHEMBL10350819 0.85 HTT (0.43) HTTCYP2C19RAB9ANPC1KMT2A
SCHEMBL25426510 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL10581344 0.78 SPHK2 (0.43) HTT
SCHEMBL6283036 0.74 MAPK1 (0.52) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL9708647 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HTTCYP1A2
SCHEMBL19966273 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL10859364 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252353-B1 4-BENZYLOXY-3-PYRROLIN-2-ONE-1-YL-ACETAMIDE, PREPARATION AND USE LONZA AG (CH) 1990-08-29 — — EP claimed
US-4879393-A 4-Benzyloxy-3-pyrrolin-2-on-1-yl acetamide production LONZA LTD. (CH) 1989-11-07 — — US claimed
US-4843166-A 4-benzyloxy-3-pyrrolin-2-on-1-yl acetamide production LONZA LTD. (CH) 1989-06-27 — — US claimed
US-4879393-A 4-Benzyloxy-3-pyrrolin-2-on-1-yl acetamide production LONZA LTD. (CH) 1989-11-07 — — US disclosed
US-4877884-A 4-benzyloxy-3-pyrrolin-2-on-1-yl acetamide production LONZA LTD. (CH) 1989-10-31 — — US disclosed
US-4868314-A 4-benzyloxy-3-pyrrolin-2-on-1-yl acetamide production LONZA LTD. (CH) 1989-09-19 — — US disclosed
US-4849528-A 4-HYDROXYPYRROLIDIN-2-ON-1-YLACETAMIDE, INTERMEDIATE LONZA LTD. (CH) 1989-07-18 — — US disclosed
US-4843166-A 4-benzyloxy-3-pyrrolin-2-on-1-yl acetamide production LONZA LTD. (CH) 1989-06-27 — — US disclosed
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