SCHEMBL9069505

SCHEMBL9069505

O=C(O)CCCCCCNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.54
▸ PTGER4 P35408 3/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ SIRT3 Q9NTG7 1/20 0.48
▸ GRIA1 P42261 2/20 0.48
▸ FOLH1 Q04609 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
SCHEMBL7375696 0.90 ACE (0.53) HTT
SCHEMBL9068701 0.87 FOLH1 (0.52) GRIA1FOLH1
SCHEMBL9069506 0.83 HTT (0.48) HTTPTGER4MEN1ALDH1A1HPGD
SCHEMBL11296564 0.81 ATM (0.52) FOLH1
SCHEMBL10420650 0.81 TACR1 (0.57) ALDH1A1KMT2A
SCHEMBL2875581 0.77 HTT (0.88) HTTPTGER4MEN1KMT2AFOLH1
SCHEMBL125577 0.77 HTT (0.88) HTTPTGER4MEN1KMT2AFOLH1
SCHEMBL4858734 0.77 HTT (0.88) HTTPTGER4MEN1KMT2AFOLH1
SCHEMBL3693087 0.77 HTT (0.88) HTTPTGER4MEN1KMT2AFOLH1
SCHEMBL3694316 0.77 HTT (0.88) HTTPTGER4MEN1KMT2AFOLH1

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
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 — — US disclosed
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