SCHEMBL21799512

SCHEMBL21799512

CCC(NCc1ccc(CN)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.39
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PSIP1 O75475 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
LOXL2 Q9Y4K0 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
KMT2A Q03164 1/20 0.35
ABAT P80404 1/20 0.34

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
SCHEMBL21799590 0.86 NOS1 (0.38) LOXL2SIGMAR1KMT2A
SCHEMBL20148931 0.81 SIGMAR1 (0.55) SIGMAR1KMT2A
SCHEMBL21799748 0.81 SIGMAR1 (0.46) TPSAB1HRH3PLGPRSS1PSIP1
Hydrochloric Acid SCHEMBL11133532 0.79 SIGMAR1 (0.53) SIGMAR1KMT2A
SCHEMBL21799812 0.79 TPSAB1 (0.42) TPSAB1BACE1HRH3PLGPRSS1
SCHEMBL21799563 0.79 TPSAB1 (0.42) TPSAB1HRH3DPP7PSIP1ANPEP
SCHEMBL14549210 0.78 TPSAB1 (0.45) TPSAB1BACE1HRH3PLGPRSS1
SCHEMBL21799762 0.78 TPSAB1 (0.39) TPSAB1BACE1HRH3DPP7PLG
SCHEMBL21799842 0.76 TPSAB1 (0.40) TPSAB1BACE1HRH3PLGPRSS1
SCHEMBL21799792 0.75 PNMT (0.34) SIGMAR1

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