SCHEMBL21065762

SCHEMBL21065762

[CH2]CN1CCCCC1C.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.42
CXCR4 P61073 6/20 0.40
HRH3 Q9Y5N1 2/20 0.38
MAPT P10636 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL661180 0.98
SCHEMBL26981315 0.98
SCHEMBL644177 0.91
SCHEMBL1128149 0.91
SCHEMBL22978548 0.80
SCHEMBL616053 0.80 CXCR4 (0.46) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL2099968 0.80 CXCR4 (0.46) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL2098979 0.80 CXCR4 (0.46) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL2100067 0.78 CXCR4 (0.45) ALDH1A1KDM4ECXCR4HRH3KMT2A
SCHEMBL2100958 0.78 CXCR4 (0.45) ALDH1A1KDM4ECXCR4HRH3KMT2A

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 5 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
CN-107250172-B Modified conjugated diene polymer, method for producing same, and modified conjugated diene polymer composition 旭化成株式会社 2021-04-09 CN 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