SCHEMBL21799771

SCHEMBL21799771

CC(C)CC(C)NCc1ccc(CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
SIGMAR1 Q99720 1/20 0.48
TPSAB1 Q15661 5/20 0.40
DPP7 Q9UHL4 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
BCHE P06276 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
SCHEMBL21799743 0.86 ALDH1A1 (0.47) ALDH1A1SIGMAR1LOXL2
SCHEMBL13995981 0.82 ALDH1A1 (0.64) ALDH1A1SIGMAR1DPP7DPP8
SCHEMBL21799748 0.82 SIGMAR1 (0.46) ALDH1A1SIGMAR1TPSAB1HRH3PLG
SCHEMBL13995814 0.81 ALDH1A1 (0.62) ALDH1A1SIGMAR1
SCHEMBL13995867 0.81 ALDH1A1 (0.67) ALDH1A1SIGMAR1ANPEP
SCHEMBL172595 0.81 ALDH1A1 (0.62) ALDH1A1SIGMAR1
SCHEMBL13995974 0.81 ALDH1A1 (0.62) ALDH1A1SIGMAR1DPP7DPP8
SCHEMBL13995689 0.81 ALDH1A1 (0.67) ALDH1A1SIGMAR1ANPEP
SCHEMBL13995946 0.81 ALDH1A1 (0.62) ALDH1A1SIGMAR1DPP7DPP8
SCHEMBL13995594 0.80 SIGMAR1 (0.74) ALDH1A1SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed