SCHEMBL21065736

SCHEMBL21065736

Cc1ccccc1N1CCCCC1.[LiH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.62
GAA P10253 2/20 0.60
ALDH1A1 P00352 5/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KEAP1 Q14145 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 2/20 0.53
ALDH1A3 P47895 2/20 0.53
TSHR P16473 2/20 0.53
POLB P06746 2/20 0.53
ALOX15 P16050 1/20 0.53
SLC18A3 Q16572 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL21065768 0.98 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL31468714 0.98 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL329640 0.98 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL329728 0.98 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL2332676 0.98 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6767674 0.96 ADRB1 (0.62) ADRB1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL329301 0.96 ADRB1 (0.67) ADRB1GAAALDH1A1HPGDSMN1; SMN2
Bromide SCHEMBL7300370 0.93 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL16446848 0.93 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2
Lithium SCHEMBL31448665 0.93 ADRB1 (0.64) ADRB1GAAALDH1A1HPGDSMN1; SMN2

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