SCHEMBL10429552

SCHEMBL10429552

CC(=O)CCC(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALOX5 P09917 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SCN4A P35499 2/20 0.40
SLC15A1 P46059 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16015375 1.00 ALDH1A1 (0.47) ALDH1A1MTNR1AMTNR1BALOX5ALPI
SCHEMBL288399 0.84 CYP1A2 (0.48) ALDH1A1SCN4ASLC15A1GRM2GRM3
SCHEMBL12682235 0.84 CYP1A2 (0.48) ALDH1A1SCN4ASLC15A1GRM2GRM3
SCHEMBL11115553 0.84 SCN4A (0.42) SCN4AGRM2GRM3
SCHEMBL372488 0.84 CYP1A2 (0.48) ALDH1A1SCN4ASLC15A1GRM2GRM3
Hydrochloric Acid SCHEMBL3017606 0.82 CYP1A2 (0.47) ALDH1A1SCN4ASLC15A1GRM2GRM3
SCHEMBL29263658 0.82 CYP1A2 (0.47) ALOX5PKMLMNA
SCHEMBL11543107 0.82 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1B
SCHEMBL21161250 0.80 CA12 (0.48) ALDH1A1LMNAKDM4E
SCHEMBL6345408 0.80 CA12 (0.48) ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4944812-A Tannin mannich adducts for improving corrosion resistance of metals HENKEL CORPORATION (US) 1990-07-31 US claimed
US-4944812-A Tannin mannich adducts for improving corrosion resistance of metals HENKEL CORPORATION (US) 1990-07-31 US disclosed
US-4754077-A HINDERED PHENOLS, METHANOL, FORMALDEHYDE, PHENOL COMPOUND, MANNICH BASE CATALYST ETHYL CORPORATION (US) 1988-06-28 US disclosed
US-4692555-A Preparation of diphenolics ETHYL CORPORATION (US) 1987-09-08 US disclosed
EP-0116712-B1 SYNTHESIS OF HINDERED PHENOLS ETHYL CORPORATION (US) 1987-03-25 EP disclosed
WO-1984002336-A1 ANTIOXIDANT SYNTHESIS ETHYL CORP (US) 1984-06-21 WO disclosed