SCHEMBL21799762

SCHEMBL21799762

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 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
KDM4E B2RXH2 1/20 0.35
BACE1 P56817 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL16789643 0.90 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL21799796 0.86 NOS1 (0.38) ALDH1A1CYP2D6LOXL2SIGMAR1SMN1; SMN2
SCHEMBL21799812 0.82 TPSAB1 (0.42) TPSAB1ALDH1A1LMNAMAPK1HTT
SCHEMBL14748112 0.81 SIGMAR1 (0.55) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL21799748 0.81 SIGMAR1 (0.46) TPSAB1ALDH1A1HTTHRH3CYP2D6
SCHEMBL13813305 0.81 SIGMAR1 (0.55) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL21799563 0.79 TPSAB1 (0.42) TPSAB1ALDH1A1HRH3CYP1A2CYP2D6
SCHEMBL14549210 0.78 TPSAB1 (0.45) TPSAB1HRH3PLGPRSS1ANPEP
SCHEMBL21799512 0.78 TPSAB1 (0.39) TPSAB1HRH3PLGPRSS1PSIP1
SCHEMBL21799495 0.75 PNMT (0.34) ALDH1A1LMNAMAPK1HTTCYP1A2

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