SCHEMBL9557124

SCHEMBL9557124

CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)O[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 7/20 0.47
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 1/20 0.46
CA2 P00918 3/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL295927 0.91 CYP3A4 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL11206084 0.86 CYP3A4 (0.48) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL11245290 0.86 CYP3A4 (0.48) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL9343544 0.86 CYP3A4 (0.48) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL4811507 0.82 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL791070 0.82 THRA (0.31)
SCHEMBL9487037 0.81 CYP3A4 (0.44) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL614539 0.81 ALDH1A1 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL3317118 0.81 ALDH1A1 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL614987 0.81 ALDH1A1 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5271858-A Field dependent fluids containing electrically conductive tin oxide coated materials ENSCI INC. (US) 1993-12-21 US disclosed
EP-0297140-A1 AGENT FOR TREATING COATED SURFACE NIPPON SODA CO., LTD. (JP) 1989-01-04 EP disclosed
US-4252662-A EROSION INHIBITOR STAUFFER CHEMICAL COMPANY (US) 1981-02-24 US disclosed
US-3956154-A AIRCRAFT STAUFFER CHEMICAL COMPANY (US) 1976-05-11 US disclosed