SCHEMBL17738932

SCHEMBL17738932

COCC(O)CNCC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ABCC3 O15438 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ RARG P13631 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ OPRK1 P41145 1/20 0.44

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
SCHEMBL19934941 0.85 ALDH1A1 (0.50) MAPTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL10832273 0.82 ALDH1A1 (0.50) MAPTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL8050669 0.81 ALDH1A1 (0.53) MAPTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL9211792 0.81 LMNA (0.56) MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL18465773 0.81 MAPT (0.50) MAPTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL31174375 0.79 ALDH1A1 (0.58) MAPTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL7695939 0.79 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL19655835 0.78 ALDH1A1 (0.46) MAPTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL19749935 0.78 MAPT (0.48) MAPTALDH1A1MAPK1L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL8053510 0.77 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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-10010863-B2 Preparation method of chromatography medium JNC CORPORATION (JP) 2018-07-03 — — US disclosed
US-20160129420-A1 PREPARATION METHOD OF CHROMATOGRAPHY MEDIUM JNC CORPORATION (JP) 2016-05-12 — — US disclosed
Send feedback