SCHEMBL28830246

SCHEMBL28830246

CCCCC(CC)COC(=O)O.CCCCOOCCCC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.58
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 6/20 0.55
CA2 P00918 4/20 0.55
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.49
RECQL P46063 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CA1 P00915 1/20 0.40

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
SCHEMBL28199953 0.95 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL28038247 0.94 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL94798 0.91 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMALDH1A1
Water SCHEMBL27469151 0.90 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMALDH1A1
Ammonia Solution, Strong SCHEMBL27745823 0.90 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL3411613 0.90 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMALDH1A1
Water SCHEMBL28077519 0.90 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL909763 0.83 ALDH1A1 (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1556513 0.82 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL2095092 0.82 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1

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
CN-106010343-A Protective film easy to recycle 斯迪克新型材料(江苏)有限公司 2016-10-12 CN disclosed
CN-106010341-A pressure sensitive adhesive tape for surface protection 斯迪克新型材料(江苏)有限公司 2016-10-12 CN disclosed