SCHEMBL29779647

SCHEMBL29779647

CCc1cc(C(C)C)c(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
AR P10275 1/20 0.33
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL341687 1.00 ALDH1A1 (0.35) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL29779642 0.83 AR (0.42) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL343321 0.83 AR (0.42) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL29779644 0.81 ALDH1A1 (0.34) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL560872 0.81 ALDH1A1 (0.34) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL27984688 0.81 ALDH1A1 (0.34) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL118865 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1A2CASP7HIF1A
SCHEMBL117750 0.78 PTK2 (0.41) ALDH1A1CYP1A2HIF1APOLBHSP90AA1
SCHEMBL20706984 0.78 DPP4 (0.35) POLBP2RX3P2RX2HSP90AA1HSP90AB1
SCHEMBL15499191 0.76 AR (0.36) P2RX3P2RX2AR

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