SCHEMBL3005960

SCHEMBL3005960

CCCCC(CC)COC(=O)CCc1cc(-c2ccccc2-c2c[nH]nn2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 6/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 4/20 0.39
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPK1 P28482 3/20 0.35
GAA P10253 5/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 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
SCHEMBL990405 0.91 ALDH1A1 (0.42) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL2995152 0.85 CNR2 (0.37) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL4887850 0.85 CYP3A4 (0.39) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL7647071 0.83 ALDH1A1 (0.40) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL284444 0.82 CYP3A4 (0.56) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL3006059 0.81 GAA (0.44) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7931248 0.81 L3MBTL1 (0.42) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL17627924 0.79 ALDH1A1 (0.46) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL7760490 0.79 ALDH1A1 (0.38) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL284594 0.78 CYP3A4 (0.51) CYP3A4TSHRATMTDP1ALDH1A1

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
US-20220162422-A1 METHOD FOR STABILIZING THERMOPLASTIC RECYCLATES, STABILIZED PLASTIC COMPOSITIONS, AND MOLDING COMPOUNDS AND MOLDED PARTS PRODUCED THEREFROM Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2022-05-26 US disclosed
US-8505237-B2 Process for enhancing plant growth BASF SE (DE) 2013-08-13 US disclosed
US-20100186294-A1 Process for enhancing plant growth BASF SE (DE) 2010-07-29 US disclosed