SCHEMBL29779642

SCHEMBL29779642

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.35
RORC P51449 1/20 0.33
CYP1A2 P05177 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
ALOX12 P18054 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
SCHEMBL343321 1.00 AR (0.42) ARALDH1A1ALOX15HSD17B10USP2
SCHEMBL116802 0.85 AR (0.44) ARALDH1A1ALOX15HSD17B10USP2
SCHEMBL341687 0.83 ALDH1A1 (0.35) ARALDH1A1ALOX15HSD17B10GAA
SCHEMBL29779647 0.83 ALDH1A1 (0.35) ARALDH1A1ALOX15HSD17B10GAA
SCHEMBL5381438 0.80 AR (0.39) ARALDH1A1ALOX15HSD17B10USP2
SCHEMBL30301258 0.79 AR (0.41) ARALDH1A1ALOX15HSD17B10USP2
SCHEMBL168865 0.79 AR (0.41) ARALDH1A1ALOX15HSD17B10USP2
SCHEMBL27984688 0.78 ALDH1A1 (0.34) ARALDH1A1ALOX15HSD17B10CYP1A2
SCHEMBL118865 0.75 ALDH1A1 (0.46) ARALDH1A1ALOX15HSD17B10CYP1A2
SCHEMBL10492473 0.73 TYR (0.40) ALDH1A1GAAMAPTTAAR1

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