SCHEMBL29779644

SCHEMBL29779644

CC(C)Cc1cc(C(C)C)c(N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
VDR P11473 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL560872 1.00 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL341687 0.81 ALDH1A1 (0.35) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29779647 0.81 ALDH1A1 (0.35) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL30301261 0.77 ALOX15 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL169822 0.77 ALOX15 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL117750 0.77 PTK2 (0.41) ALDH1A1CYP1A2HIF1AGABRA1GABRB2
SCHEMBL5379465 0.74 POLB (0.37) POLBGAAGFER
SCHEMBL832810 0.74 GAA (0.46) ALDH1A1CYP1A2HIF1AGABRA1GABRB2
SCHEMBL342519 0.72 ATM (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5015100 0.72 POLB (0.49) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP disclosed
WO-2023012000-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2023-02-09 WO disclosed
EP-4038126-A1 SPRAY POLYURETHANE ELASTOMERS AND METHODS FOR PRODUCING THE SAME BASF SE (DE) 2022-08-10 EP disclosed