SCHEMBL21065737

SCHEMBL21065737

CCCN(CCC)c1ccc(C)cc1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
KCNH2 Q12809 1/20 0.40
CNR2 P34972 6/20 0.39
TDP1 Q9NUW8 2/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 2/20 0.38
PSMD14 O00487 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
ESRRG P62508 1/20 0.37
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 1/20 0.36
IGLV6-57 P01721 1/20 0.36

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
SCHEMBL516400 0.98 CYP2C19 (0.48) CYP2C19TSHRALDH1A1EGFRERBB2
Lithium Ion SCHEMBL19732659 0.95 CYP2C19 (0.47) CYP2C19TSHRALDH1A1EGFRERBB2
SCHEMBL2489238 0.91 CYP2C19 (0.44) CYP2C19TSHRALDH1A1EGFRERBB2
SCHEMBL20013904 0.88 ALDH1A1 (0.46) CYP2C19TSHRALDH1A1KCNH2CNR2
SCHEMBL7150414 0.87 EGFR (0.47) TSHRALDH1A1EGFRERBB2CNR2
SCHEMBL14174780 0.87 ALDH1A1 (0.43) CYP2C19TSHRALDH1A1EGFRERBB2
SCHEMBL903672 0.87 CYP2C19 (0.41) CYP2C19TSHRALDH1A1EGFRERBB2
SCHEMBL21065748 0.86 CYP2C19 (0.44) CYP2C19TSHRALDH1A1EGFRERBB2
SCHEMBL11725644 0.86 HPGD (0.47) CYP2C19TSHRALDH1A1EGFRCNR2
SCHEMBL14289217 0.86 CNR2 (0.49) CYP2C19ALDH1A1KCNH2CNR2L3MBTL1

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