Sugi Predict

Sugi Predict / Compounds / SCHEMBL11528382

SCHEMBL11528382

SCHEMBL11528382

CN(C)CCC(O)/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ UTS2R Q9UKP6 3/20 0.45
▸ BCHE P06276 3/20 0.40
▸ ACHE P22303 3/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL8383905 1.00 HTR2A (0.47) HTR2AHRH1UTS2RBCHEACHE
SCHEMBL6897132 0.80 MEN1 (0.42) HTR2ACYP3A4RELACYP1A2
SCHEMBL6897130 0.80 MEN1 (0.42) HTR2ACYP3A4RELACYP1A2
SCHEMBL11530802 0.77 HRH1 (0.42) HTR2AHRH1CYP3A4CYP1A2ALDH1A1
SCHEMBL31398436 0.76 MEN1 (0.45) CYP3A4CYP1A2ALDH1A1
SCHEMBL301113 0.76 TRPA1 (0.47) ALDH1A1
SCHEMBL28880268 0.76 HTR2A (0.40) HTR2ACYP3A4CYP1A2ALDH1A1
SCHEMBL160811 0.76 TRPA1 (0.47) ALDH1A1
SCHEMBL11960056 0.76 MEN1 (0.49) HTR2ACYP3A4RELACYP1A2
SCHEMBL866661 0.76 MEN1 (0.49) HTR2ACYP3A4RELACYP1A2

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-4173649-A ANTIULCER AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 — — US disclosed