SCHEMBL23929244

SCHEMBL23929244

CCCCCCC(CC)Nc1ccc(NC(CC)CCCCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1I2 O75469 1/20 0.36
SPHK1 Q9NYA1 6/20 0.35
HDAC1 Q13547 1/20 0.35
THRA P10827 1/20 0.35
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL19019043 0.91 LMNA (0.41) THRBALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL23929266 0.91 ALDH1A1 (0.37) THRBALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL27635962 0.91 HDAC8 (0.43) ALDH1A1SMN1; SMN2TDP1HDAC1EPHX1
SCHEMBL30464709 0.91 HDAC8 (0.43) ALDH1A1SMN1; SMN2TDP1HDAC1EPHX1
SCHEMBL29745004 0.91 HDAC8 (0.43) ALDH1A1SMN1; SMN2TDP1HDAC1EPHX1
SCHEMBL20655979 0.91 HDAC8 (0.43) ALDH1A1SMN1; SMN2TDP1HDAC1EPHX1
SCHEMBL11533028 0.91 HDAC8 (0.43) ALDH1A1SMN1; SMN2TDP1HDAC1EPHX1
SCHEMBL28770186 0.89 KCNH3 (0.41) THRBALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL11045235 0.89 TDP1 (0.42) ALDH1A1SMN1; SMN2TDP1HDAC1EPHX1
SCHEMBL809184 0.88 ALDH1A1 (0.49) THRBALDH1A1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139384-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-03-01 EP disclosed
WO-2021213771-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2021-10-28 WO disclosed