SCHEMBL26307712

SCHEMBL26307712

O=C(COc1ccc(OCc2ccccc2)cc1)NCCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.65
▸ LMNA P02545 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ ACHE P22303 2/20 0.63
▸ TACR2 P21452 3/20 0.62
▸ MAPK1 P28482 2/20 0.60
▸ EGFR P00533 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ POLB P06746 1/20 0.58
▸ EPHX2 P34913 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL31305358 0.82 ALDH1A1 (0.76) MAPTLMNAPKMACHEALDH1A1
SCHEMBL30673257 0.80 ALDH1A1 (0.82) LMNAMAPK1ALDH1A1POLBEPHX2
SCHEMBL28928585 0.79 MAPK1 (0.70) MAPTLMNAACHEMAPK1ALDH1A1
SCHEMBL7367181 0.78 HTT (0.70) MAPK1EGFRALDH1A1HTTKMT2A
SCHEMBL26393865 0.77 MAPK1 (0.67) MAPK1ALDH1A1POLBKMT2A
SCHEMBL28724172 0.77 TSHR (0.68) MAPTALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL7371797 0.77 HTT (0.68) LMNAMAPK1EGFRALDH1A1HTT
SCHEMBL28673108 0.76 HSD17B10 (0.52) MAPTLMNAPKMMAPK1ALDH1A1
SCHEMBL1463825 0.76 POLB (0.61) LMNAMAPK1ALDH1A1POLBHTT
SCHEMBL1956688 0.76 LTA4H (0.79) EGFRHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141467-A2 COMPOSITIONS, METHODS, AND DEVELOPMENT OF ARID4B INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-07-27 — — WO disclosed
Send feedback