SCHEMBL28443399

SCHEMBL28443399

CC(C)(C)c1cccc(C(C)(C)C)c1.CCCCC(CC)COP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 3/20 0.41
TSHR P16473 4/20 0.40
MAPK1 P28482 3/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR2 O95136 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
S1PR5 Q9H228 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
GLA P06280 1/20 0.35
HTT P42858 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
SCHEMBL28470774 0.81 CYP3A4 (0.72) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL163886 0.81 CYP3A4 (0.72) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL21681662 0.81 CYP3A4 (0.72) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Biphenyl SCHEMBL27578689 0.80 CYP3A4 (0.55) CYP3A4L3MBTL1ALDH1A1CA2LMNA
Hydrochloric Acid SCHEMBL11294607 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Phosphoric Acid SCHEMBL28845282 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL17769222 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL29169464 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL2234237 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Ammonia Solution, Strong SCHEMBL1882363 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1ALDH1A1CA2TSHR

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-111492028-B Method for producing polylactic acid hot melt adhesive 株式会社BP咨询顾问 2022-03-29 CN disclosed
CN-111492028-A Method for producing polylactic acid hot melt adhesive 株式会社BP咨询顾问 2020-08-04 CN disclosed