SCHEMBL10429274

SCHEMBL10429274

CCCCC(CC)CC(CC(CC)CCCC)(CC(CC)CCCC)C(=O)OC(=O)CC(O)(CC(=O)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)C(=O)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
CA2 P00918 5/20 0.40
ALDH1A1 P00352 6/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.32
USP2 O75604 1/20 0.32
CA1 P00915 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MAPK1 P28482 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL732345 0.87 ALDH1A1 (0.38) CYP3A4TSHRTDP1ATMCA2
SCHEMBL140635 0.77 NAAA (0.32) ATML3MBTL1LMNAUSP2
SCHEMBL10784353 0.75 MEN1 (0.39) ATML3MBTL1LMNAUSP2
SCHEMBL11334724 0.74 CYP3A4 (0.56) CYP3A4TSHRTDP1ATMCA2
SCHEMBL774575 0.73 CYP4F2 (0.31)
SCHEMBL722548 0.72 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMCA2
SCHEMBL25426441 0.71 TSHR (0.59) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4266186 0.70 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMCA2
SCHEMBL22319189 0.70 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMCA2
SCHEMBL1218843 0.69 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968559-A RELEASING BANDO CHEMICAL INDUSTRIES. LTD. (JP) 1990-11-06 US disclosed