SCHEMBL28143791

SCHEMBL28143791

CCCCCCCCCCCCCCC(C)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NAAA Q02083 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL21416476 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL19223903 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL24919973 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL27485167 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL572560 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL16774421 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
Fluoride SCHEMBL29252743 0.98 MAPT (0.42) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL29252918 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL27371328 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL9663065 0.98 MAPT (0.45) MAPTALDH1A1POLBNAAAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105120960-B Oral care compositions comprising polyorganosilsesquioxane particles 宝洁公司 2018-06-22 — — CN disclosed
CN-104721063-B Dentrifice composition comprising zinc oxide and zinc citrate 高露洁-棕榄公司 2018-05-08 — — CN disclosed
CN-103917276-B oral care gel 高露洁-棕榄公司 2018-03-20 — — CN disclosed
CN-105408256-B Show the chloride hydrate aluminium salt at high size exclusion chromatography peak 3 高露洁-棕榄公司 2017-12-29 — — CN disclosed
CN-104768520-B heat treated precipitated silica 宝洁公司 2017-06-13 — — CN disclosed
CN-102612385-B Method for improving taste and oral care composition with improved taste 宝洁公司 2017-06-09 — — CN disclosed
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