SCHEMBL21065779

SCHEMBL21065779

CCN(CC)c1ccc(C)cc1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 2/20 0.58
PSMD14 O00487 1/20 0.58
CYP3A4 P08684 1/20 0.58
RECQL P46063 1/20 0.58
GFER P55789 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH3A1 P30838 1/20 0.54
ALDH1A3 P47895 1/20 0.54
CNR2 P34972 11/20 0.53
CNR1 P21554 6/20 0.51
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
S100B P04271 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL43704 0.97 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1PSMD14CYP3A4
Lithium Ion SCHEMBL19732783 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL28189887 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1PSMD14CYP3A4
Fluoride SCHEMBL11231084 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1PSMD14CYP3A4
Nitrogen SCHEMBL28319979 0.92 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1PSMD14CYP3A4
Alcohol SCHEMBL9810838 0.90 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL15488866 0.86 CNR2 (0.56) ALDH1A1TSHRMAPK1PSMD14CYP3A4
Bicarbonate SCHEMBL11138673 0.86 CNR2 (0.56) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL12144229 0.86 CNR2 (0.56) ALDH1A1TSHRMAPK1PSMD14CYP3A4
SCHEMBL4402947 0.86 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1PSMD14CYP3A4

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-11091609-B2 Modified conjugated diene-based polymer, production method thereof, rubber composition and tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-17 US disclosed
EP-3502144-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, PRODUCTION METHOD THEREOF, RUBBER COMPOSITION AND TIRE ASAHI CHEMICAL IND (JP) 2021-06-02 EP disclosed
US-20190203021-A1 Modified Conjugated Diene-Based Polymer, Production Method Thereof, Rubber Composition and Tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-04 US disclosed
EP-3502144-A1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, RUBBER COMPOSITION, AND TIRE ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-06-26 EP disclosed